#------------------------------------------------------------------------------
#$Date: 2023-11-28 09:31:58 +0200 (Tue, 28 Nov 2023) $
#$Revision: 287825 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/23/2312361.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2312361
loop_
_publ_author_name
'Kitahara, Koichi'
'Takakura, Hiroyuki'
'Iwasaki, Yutaka'
'Kimura, Kaoru'
_publ_section_title
;
Crystal structures of five compounds in the aluminium-ruthenium-silicon
system.
;
_journal_coeditor_code WM5690
_journal_issue 'Pt 10'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first 946
_journal_page_last 951
_journal_paper_doi 10.1107/S2056989023008393
_journal_volume 79
_journal_year 2023
_chemical_formula_iupac '\\sim Ru (Al0.57 Si0.43)5'
_chemical_formula_moiety 'Al2.83 Ru Si2.17'
_chemical_formula_sum 'Al2.83 Ru Si2.17'
_chemical_formula_weight 238.38
_chemical_name_systematic
;
Trialuminium ruthenium disilicon
;
_space_group_crystal_system tetragonal
_space_group_IT_number 140
_space_group_name_Hall '-I 4 2c'
_space_group_name_H-M_alt 'I 4/m c m'
_atom_sites_solution_primary dual
_audit_creation_method SHELXL-2019/3
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_formula_units_Z 4
_cell_length_a 6.20079(8)
_cell_length_b 6.20079(8)
_cell_length_c 9.6937(2)
_cell_measurement_reflns_used 5393
_cell_measurement_temperature 296.6(3)
_cell_measurement_theta_max 38.2210
_cell_measurement_theta_min 4.1840
_cell_volume 372.721(10)
_computing_cell_refinement
;
CrysAlis PRO (Matsumoto et al., 2021)
;
_computing_data_collection
;
CrysAlis PRO (Matsumoto et al., 2021)
;
_computing_data_reduction
;
CrysAlis PRO (Matsumoto et al., 2021)
;
_computing_molecular_graphics
;
VESTA (Momma & Izumi, 2011)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature 296.6(3)
_diffrn_detector 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device 'four-circle diffractometer'
_diffrn_measurement_device_type 'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method '\w scans'
_diffrn_radiation_monochromator mirror
_diffrn_radiation_probe x-ray
_diffrn_radiation_type 'Mo K\a'
_diffrn_radiation_wavelength 0.71073
_diffrn_reflns_av_R_equivalents 0.0285
_diffrn_reflns_av_unetI/netI 0.0089
_diffrn_reflns_limit_h_max 10
_diffrn_reflns_limit_h_min -10
_diffrn_reflns_limit_k_max 10
_diffrn_reflns_limit_k_min -10
_diffrn_reflns_limit_l_max 16
_diffrn_reflns_limit_l_min -16
_diffrn_reflns_number 8063
_diffrn_reflns_theta_full 25.242
_diffrn_reflns_theta_max 37.905
_diffrn_reflns_theta_min 4.205
_diffrn_source 'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu 5.324
_exptl_absorpt_correction_T_max 0.906
_exptl_absorpt_correction_T_min 0.833
_exptl_absorpt_correction_type gaussian
_exptl_absorpt_process_details
;
(CrysAlisPro; Matsumoto et al., 2021)
;
_exptl_crystal_colour 'metallic light silver'
_exptl_crystal_density_diffrn 4.248
_exptl_crystal_density_method 'not measured'
_exptl_crystal_description irregular
_exptl_crystal_F_000 440.99
_exptl_crystal_size_max 0.047
_exptl_crystal_size_mid 0.030
_exptl_crystal_size_min 0.024
_refine_diff_density_max 0.441
_refine_diff_density_min -0.421
_refine_ls_extinction_coef 0.0037(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method
;
SHELXL-2019/3 (Sheldrick, 2015b)
;
_refine_ls_goodness_of_fit_ref 1.208
_refine_ls_hydrogen_treatment undef
_refine_ls_matrix_type full
_refine_ls_number_parameters 13
_refine_ls_number_reflns 295
_refine_ls_number_restraints 2
_refine_ls_restrained_S_all 1.204
_refine_ls_R_factor_all 0.0105
_refine_ls_R_factor_gt 0.0094
_refine_ls_shift/su_max 0.000
_refine_ls_shift/su_mean 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0084P)^2^+0.2167P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme calc
_refine_ls_wR_factor_gt 0.0211
_refine_ls_wR_factor_ref 0.0214
_reflns_number_gt 279
_reflns_number_total 295
_reflns_threshold_expression 'I > 2\s(I)'
_cod_data_source_file wm5690sup1.cif
_cod_data_source_block IV
_cod_original_cell_volume 372.721(11)
_cod_database_code 2312361
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_hkl_file
;
0 0 2 4785.03 42.45
0 0 -2 4942.37 41.16
0 0 -2 4859.31 34.42
0 0 -2 4904.35 41.12
0 0 -2 4849.53 42.94
0 0 2 4738.36 42.19
0 0 -2 4934.08 41.32
0 0 -4 336.36 15.01
0 0 4 373.49 14.13
0 0 -4 338.65 16.53
0 0 -4 333.83 12.59
0 0 -4 318.11 14.15
0 0 -6 5.27 2.77
0 0 -6 2.11 1.32
0 0 -6 4.95 3.43
0 0 6 6.35 2.57
0 0 -8 6211.82 56.24
0 0 8 6129.91 80.71
0 0 -8 5942.47 102.13
0 0 -8 6021.08 46.20
0 0 -8 6161.51 106.88
0 0 8 6069.50 102.10
0 0 10 3091.84 82.96
0 0 -10 3254.36 39.43
0 0 -10 3240.91 86.08
0 0 10 3120.29 84.20
0 0 -10 3288.91 88.88
0 0 10 3219.24 65.20
0 0 -12 1181.15 57.48
0 0 12 1245.53 58.86
0 0 12 1158.48 41.75
0 0 -12 1143.33 58.35
0 0 -14 22.49 9.11
0 0 14 10.22 5.36
0 0 14 17.98 7.89
0 0 -14 2.59 5.57
0 0 -16 494.80 42.87
0 0 16 510.16 42.44
0 0 16 474.25 41.53
0 0 -16 547.91 47.53
0 1 -1 -1.32 0.99
1 0 -1 0.24 0.96
0 -1 1 -0.49 0.75
0 1 1 1.23 0.93
0 1 -1 -0.80 0.96
-1 0 -1 -0.14 0.58
-1 0 -1 1.09 0.76
0 -1 1 2.58 1.29
0 -1 1 2.56 1.35
0 -1 1 2.84 0.95
0 1 -1 1.84 0.79
0 1 -1 -0.68 0.96
0 -1 -1 0.28 0.73
1 0 -1 1.78 1.07
-1 0 -1 3.67 0.82
0 -1 -1 4.56 1.23
0 1 -1 -0.39 0.81
1 0 -1 -0.91 0.80
-1 0 1 0.43 0.91
-1 0 -1 -0.22 0.55
1 0 1 1.43 1.14
-1 0 1 0.28 0.91
1 0 1 -0.44 0.76
1 0 -1 -1.31 0.94
0 -1 -1 -0.27 0.88
0 1 -1 0.48 1.10
0 -1 1 0.86 1.34
-1 0 -1 0.24 0.70
0 1 1 -0.77 1.01
0 1 -1 0.54 0.90
-1 0 -1 -0.22 0.64
0 -1 -1 -0.48 0.91
1 0 3 -1.08 1.93
0 1 3 0.23 0.67
1 0 -3 1.03 0.87
-1 0 -3 0.73 0.90
1 0 -3 -0.45 1.23
0 -1 3 0.52 1.15
1 0 3 -0.47 0.90
0 1 -3 0.64 0.62
0 -1 -3 1.08 1.04
-1 0 -3 -0.40 1.34
0 1 -3 -0.44 1.25
0 1 -3 1.88 1.14
0 -1 3 -1.07 2.16
-1 0 3 0.77 0.42
0 1 -3 1.38 1.45
1 0 3 -1.07 1.67
0 1 -3 1.83 1.61
1 0 -3 0.67 0.95
0 -1 -3 0.46 0.84
0 1 -3 1.12 0.88
1 0 -3 1.43 1.13
1 0 3 0.72 1.38
0 1 3 -0.22 0.66
0 1 -3 1.42 0.77
-1 0 -3 -0.32 0.98
-1 0 3 1.05 1.33
-1 0 3 1.53 1.09
-1 0 -3 2.62 1.14
1 0 3 -0.22 0.96
0 1 3 0.35 0.79
-1 0 3 -0.39 0.88
0 1 3 -0.14 0.51
1 0 -3 -0.24 0.60
0 -1 3 0.24 0.73
0 1 3 -0.46 1.27
-1 0 -3 1.97 1.42
0 1 3 -0.43 0.73
0 -1 -3 2.70 1.13
1 0 -3 -1.07 0.52
0 1 3 1.40 1.25
0 -1 -3 2.73 1.83
0 1 -3 -0.46 1.30
1 0 3 -0.40 1.32
-1 0 3 -0.88 0.96
0 -1 -3 1.00 0.70
-1 0 -3 -0.41 1.31
-1 0 -5 -0.62 1.52
1 0 5 1.70 1.60
-1 0 5 -0.53 0.67
0 -1 5 0.82 1.09
0 -1 -5 0.88 2.41
0 1 -5 1.42 0.71
1 0 5 4.47 2.58
1 0 5 0.73 1.47
1 0 -5 3.13 1.61
1 0 5 6.96 2.32
-1 0 -5 -0.46 1.09
1 0 -5 -0.88 1.61
-1 0 5 3.48 2.17
-1 0 -5 0.18 0.80
0 1 -5 1.17 0.56
0 -1 -5 -1.78 1.99
0 1 -5 -0.63 2.29
0 -1 5 0.85 1.67
-1 0 5 0.56 0.73
-1 0 -5 0.56 0.53
0 1 -5 -1.22 1.69
-1 0 -5 -0.74 1.54
0 1 5 1.58 0.66
0 1 5 1.31 0.85
-1 0 5 -1.89 1.93
-1 0 5 0.72 1.69
0 1 -5 0.52 0.52
-1 0 -5 1.22 1.89
0 -1 -5 -1.23 1.20
0 -1 5 0.73 1.03
0 1 5 1.28 0.72
-1 0 -5 3.42 1.91
1 0 -5 0.58 0.72
0 1 5 0.52 0.65
1 0 5 0.19 0.63
1 0 7 5.44 2.63
-1 0 7 1.08 1.71
0 -1 -7 -1.29 1.93
-1 0 7 -0.85 1.13
0 1 7 -0.52 0.94
-1 0 7 -1.25 1.82
1 0 -7 2.54 1.86
0 1 7 -3.54 3.15
1 0 7 3.83 2.68
0 1 -7 1.16 2.19
-1 0 -7 1.25 1.29
1 0 -7 -0.53 0.94
0 -1 7 2.90 1.10
1 0 7 4.40 1.86
-1 0 -7 -1.10 2.68
0 -1 -7 0.72 0.39
0 1 -7 0.53 1.15
-1 0 -7 1.21 1.35
1 0 7 -2.42 2.89
0 1 -9 -1.71 2.50
0 -1 9 1.61 2.99
0 1 9 1.57 3.29
1 0 -9 -1.68 3.06
-1 0 -9 2.32 1.11
0 1 -9 -0.74 0.96
1 0 9 0.93 2.14
-1 0 -9 -1.68 3.63
1 0 9 4.42 2.15
0 -1 -9 -1.66 3.97
0 1 9 -1.60 2.87
0 -1 -9 1.72 3.66
1 0 -9 1.14 1.75
0 1 9 -0.69 1.26
-1 0 -9 0.50 1.32
-1 0 9 -2.93 3.16
0 1 -9 1.07 1.96
-1 0 -9 -1.48 2.76
0 -1 9 -1.20 2.27
-1 0 9 1.05 1.30
0 1 -9 1.55 1.50
-1 0 9 -1.65 1.70
1 0 -11 2.10 3.70
0 1 11 10.09 6.94
0 -1 11 -2.02 2.87
0 -1 -11 -4.16 5.52
0 -1 -11 -2.18 3.27
1 0 11 1.87 1.82
0 1 11 1.96 1.91
-1 0 -11 -2.14 2.08
0 -1 11 4.25 3.52
0 1 -11 1.95 1.89
0 1 -11 -2.25 2.13
-1 0 -11 1.88 3.38
0 1 11 2.46 2.83
0 1 -11 -2.16 3.07
0 -1 11 -2.03 3.57
-1 0 11 -1.23 3.66
0 -1 -13 2.49 2.42
0 -1 13 -2.43 3.45
-1 0 -13 -2.59 4.65
1 0 13 -6.77 4.12
1 0 -13 -2.52 5.30
0 -1 -13 -2.63 3.85
0 -1 13 2.41 6.30
0 1 13 -2.35 4.22
0 1 -13 2.61 3.70
0 1 -13 -7.01 3.42
-1 0 13 -6.71 4.76
-1 0 -13 -2.27 2.20
0 -1 13 -1.57 1.94
0 1 13 -2.42 4.42
-1 0 13 -4.05 3.45
1 0 15 2.86 5.22
1 0 15 5.13 4.69
0 1 -15 2.66 4.85
0 1 15 -2.67 2.75
-1 0 15 5.11 2.63
1 0 -15 -5.73 5.24
0 -1 15 2.75 5.02
0 -1 -15 5.65 5.15
0 -1 15 -2.76 4.96
-1 0 -15 12.88 7.39
0 1 -15 -11.95 7.79
-1 0 -15 2.97 4.23
0 -1 -15 -6.00 5.38
-1 0 15 -2.81 3.99
-1 -1 0 3573.42 35.60
-1 -1 0 3708.91 37.66
-1 1 0 3618.19 24.63
-1 -1 0 3667.49 39.34
-1 -1 0 3619.11 38.43
1 1 0 3654.97 28.80
-1 1 0 3624.79 38.38
1 1 0 3592.89 37.27
-1 1 0 3541.19 35.67
1 1 0 3696.11 39.72
1 -1 0 3637.26 40.21
-1 1 -2 1809.41 30.53
-1 -1 2 1774.16 26.27
-1 1 -2 1827.51 26.81
1 -1 2 1738.74 32.21
-1 -1 -2 1741.59 27.34
-1 -1 2 1725.48 29.96
-1 1 -2 1772.16 29.54
-1 1 -2 1813.40 30.68
-1 -1 2 1753.84 26.38
-1 1 2 1792.35 28.88
-1 1 -2 1794.00 30.43
-1 -1 -2 1775.59 20.82
1 1 -2 1806.66 26.46
-1 -1 -2 1770.07 31.11
-1 -1 -2 1786.66 20.38
-1 -1 2 1777.80 27.92
1 1 -2 1748.33 25.77
-1 -1 -2 1758.36 25.97
1 1 2 1779.45 27.97
-1 -1 -2 1762.23 26.52
1 1 -2 1764.83 26.18
-1 1 2 1763.11 24.75
-1 -1 2 1732.93 22.73
1 1 -2 1759.98 21.61
1 1 -2 1797.87 31.18
1 1 2 1756.51 25.98
1 1 2 1773.40 21.78
-1 -1 -2 1794.64 32.37
-1 1 2 1768.60 26.75
1 1 -2 1756.13 27.73
1 -1 2 1799.94 32.62
-1 -1 2 1761.95 31.88
1 -1 2 1784.77 31.99
-1 1 -2 1796.33 28.77
1 -1 -2 1828.49 28.57
-1 1 -4 7869.54 75.31
-1 -1 4 7804.09 84.38
-1 -1 -4 7940.27 86.65
1 1 4 7745.95 56.67
-1 -1 -4 7825.06 65.69
-1 1 -4 7815.26 57.59
1 1 4 7595.36 77.42
1 1 -4 7714.04 57.61
1 -1 4 7810.40 56.53
-1 -1 4 7822.77 57.23
-1 -1 -4 7753.73 82.47
1 1 -4 7737.18 74.47
1 -1 -4 8031.18 57.38
1 1 4 7910.98 74.92
-1 1 -4 7867.88 74.09
-1 -1 -4 7810.79 56.34
-1 -1 4 7913.45 76.04
-1 -1 4 7878.81 78.32
1 1 4 7873.61 54.88
1 -1 4 7904.29 86.01
-1 -1 4 7985.08 54.80
1 1 -4 8015.36 65.74
-1 -1 -4 7896.42 53.70
-1 -1 -4 7896.29 34.61
1 1 -4 7774.15 61.99
-1 1 4 7810.92 51.71
1 1 -4 7750.70 72.22
-1 1 -4 7854.64 79.44
-1 -1 -4 8078.01 61.50
-1 1 4 7913.13 55.06
-1 1 -4 8021.53 77.85
-1 1 -4 7946.18 79.26
-1 -1 -4 7739.39 45.70
-1 1 4 7964.56 57.90
1 1 4 7775.16 74.32
-1 1 4 7791.45 85.04
1 1 -4 7973.71 70.73
-1 -1 -4 7854.89 72.79
1 -1 4 8069.66 87.88
1 1 -4 7780.94 54.99
-1 1 -4 7899.26 54.56
1 -1 4 7550.55 79.07
-1 -1 6 2213.11 50.79
-1 1 -6 2122.97 48.23
-1 -1 -6 2155.78 26.04
-1 1 -6 2161.45 25.52
-1 -1 -6 2218.52 55.31
-1 -1 -6 2145.13 33.48
-1 -1 -6 2128.06 24.80
-1 -1 -6 2160.94 52.92
1 1 6 2184.03 26.65
1 -1 6 2153.86 48.92
1 1 6 2216.14 26.01
1 1 6 2244.48 51.96
1 1 -6 2087.31 43.10
1 -1 -6 2134.48 29.78
-1 -1 6 2216.22 26.11
1 1 -6 2174.86 25.85
-1 -1 6 2170.01 54.36
1 1 -6 2182.25 42.32
-1 -1 6 2076.41 49.71
-1 1 6 2149.44 25.61
-1 1 6 2208.51 25.52
1 -1 -6 2141.35 41.44
1 1 -6 2141.20 26.43
-1 1 6 2198.38 50.38
-1 1 6 2186.26 54.57
1 -1 6 2237.96 52.58
1 1 6 2210.41 49.87
-1 -1 6 2163.89 26.84
-1 1 6 2169.05 26.62
-1 -1 6 2156.47 48.63
1 -1 6 2212.40 55.35
1 1 -6 2140.31 33.68
-1 1 6 2127.36 39.36
-1 -1 -6 2209.45 31.04
-1 1 -6 2152.96 26.61
1 1 6 2162.97 55.20
-1 1 -6 2210.62 26.28
1 -1 -6 2082.19 54.00
-1 -1 8 1781.95 51.06
1 -1 -8 1745.55 57.88
1 -1 8 1830.58 55.65
-1 1 -8 1879.57 58.95
-1 -1 8 1862.52 58.90
1 1 -8 1872.36 43.13
-1 -1 -8 1735.90 55.92
-1 -1 -8 1805.33 58.83
-1 1 8 1866.73 41.81
-1 -1 8 1837.08 54.93
-1 1 -8 1796.28 52.57
1 -1 8 1800.90 49.45
-1 1 8 1832.04 54.78
1 1 8 1873.67 54.75
-1 1 10 229.89 16.20
1 -1 10 230.53 22.59
-1 -1 10 253.04 21.03
-1 -1 -10 252.92 24.10
-1 -1 10 240.78 24.16
-1 -1 10 276.12 24.08
1 1 10 191.28 19.84
-1 -1 -10 234.09 24.23
-1 1 -10 207.82 20.64
1 1 -10 224.34 15.44
1 -1 -10 264.11 25.56
-1 1 -10 248.70 24.73
1 1 -10 229.16 23.77
1 -1 10 274.72 21.33
-1 1 -10 263.71 15.37
-1 1 10 280.60 24.46
-1 -1 12 1444.45 53.57
-1 1 -12 1489.80 66.61
-1 1 12 1462.72 61.61
-1 -1 -12 1476.29 63.92
-1 1 -12 1537.67 62.36
1 -1 12 1433.15 65.03
1 1 12 1409.52 64.90
1 -1 -12 1457.38 66.43
1 -1 12 1379.13 61.47
-1 1 12 1503.86 43.22
1 1 12 1541.08 62.62
1 1 -12 1436.70 64.95
-1 -1 12 1556.01 63.86
1 1 -12 1494.56 68.30
-1 1 12 1483.91 65.51
-1 -1 -12 1519.97 68.40
1 -1 14 649.98 47.90
-1 -1 14 675.31 37.65
1 -1 -14 723.58 50.75
-1 1 14 773.50 51.01
1 -1 14 748.21 48.89
-1 1 -14 722.18 46.06
-1 -1 -14 722.28 50.43
1 1 -14 708.81 50.97
1 1 14 731.11 46.90
1 1 -14 683.92 48.04
-1 -1 14 722.15 47.17
-1 -1 -14 689.75 47.12
-1 1 -14 717.08 50.22
1 1 16 900.29 57.72
-1 -1 16 727.74 49.89
-1 1 16 765.83 52.98
-1 1 -16 774.14 54.86
-1 -1 -16 764.42 55.10
1 1 -16 708.64 50.91
1 -1 16 725.29 53.10
1 1 16 804.66 52.21
1 -1 -16 811.31 56.28
1 1 -16 806.24 56.96
1 -1 16 808.54 53.27
-1 -1 -16 729.68 50.71
-1 -1 16 811.57 55.22
-1 1 -16 827.91 51.62
-1 1 16 825.55 52.31
0 -2 0 3794.72 42.39
0 2 0 3733.29 42.68
0 2 0 3703.59 45.12
2 0 0 3602.50 47.62
-2 0 0 3588.82 46.75
0 2 0 3753.87 47.98
0 2 0 3770.56 42.53
2 0 0 3719.98 24.79
0 -2 0 3773.42 48.45
-2 0 0 3788.35 31.38
2 0 0 3649.04 47.65
-2 0 0 3776.34 44.89
2 0 0 3697.17 44.39
0 -2 0 3726.88 37.17
0 2 0 3763.93 40.15
2 0 0 3657.73 45.31
2 0 0 3722.85 30.85
-2 0 -2 1656.83 23.78
0 2 -2 1645.69 32.51
2 0 2 1644.53 22.65
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2 -4 8 2018.60 71.71
4 2 8 2010.08 51.28
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4 2 8 2057.75 69.60
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4 2 -8 1989.84 46.81
4 -2 8 1955.08 50.73
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4 -2 8 2092.51 70.30
2 4 -8 2051.00 67.13
4 -2 -8 1977.89 51.06
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4 2 8 2056.79 45.87
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2 4 -8 2025.16 52.19
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4 2 -8 2035.65 51.98
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4 -2 -8 1951.91 66.19
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2 -4 8 2047.83 72.66
2 -4 -8 1982.21 69.05
2 -4 -8 2092.22 65.63
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4 -2 10 852.33 49.46
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4 -2 10 827.32 28.84
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4 2 10 816.96 45.68
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4 2 10 866.08 35.16
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4 3 7 26.56 6.65
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4 -3 11 5.17 5.50
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3 -4 -13 -2.90 5.30
4 -3 13 2.94 5.27
-4 -3 13 10.16 4.80
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3 4 13 2.99 7.15
4 -3 -13 -2.32 4.46
3 -4 -13 4.89 3.77
-4 -3 -13 -2.84 4.15
-3 -4 -13 -2.98 7.06
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4 -4 0 5401.06 97.17
4 -4 0 5203.76 103.85
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4 4 0 5530.20 105.71
4 4 0 5454.66 99.60
4 -4 0 5509.91 84.02
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4 4 0 5494.10 105.06
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4 -4 0 5611.45 81.50
4 -4 2 1239.08 49.31
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4 -4 2 1314.08 53.17
4 -4 2 1222.05 42.87
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4 -4 -2 1152.58 48.84
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4 -4 -2 1278.87 46.23
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4 -4 4 376.49 29.54
4 -4 -4 400.50 18.11
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4 -4 -4 404.02 28.54
4 -4 4 384.10 27.72
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4 4 -4 354.12 26.43
4 -4 4 413.99 28.12
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4 -4 4 380.25 29.19
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4 -4 -4 433.03 17.43
4 -4 -4 439.04 24.39
4 -4 -4 441.88 27.34
4 -4 6 147.79 19.30
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4 -4 -6 137.90 13.27
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4 -4 -6 138.21 16.14
4 -4 6 139.36 16.60
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4 -4 6 99.82 14.72
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4 4 6 135.34 10.48
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-4 -4 6 135.46 15.63
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4 -4 -6 127.07 8.98
-4 -4 -6 124.11 14.67
4 -4 -6 132.83 15.69
-4 -4 -6 152.06 19.41
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4 4 8 2151.61 48.50
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4 -4 -8 2247.32 62.53
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4 -4 -8 2186.64 62.82
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0 -5 -3 -1.38 2.08
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-9 0 -1 -2.72 4.88
-9 0 1 2.69 3.83
0 9 -1 5.59 4.20
0 -9 -1 -7.91 7.56
0 -9 1 -2.70 4.16
-9 0 -3 -2.70 5.75
-9 0 3 2.69 3.82
0 -9 -3 8.20 5.08
0 -9 3 -2.56 3.84
9 0 3 3.89 4.24
9 0 3 -2.73 4.90
9 0 -3 2.73 4.90
9 0 3 -2.77 4.16
0 9 3 1.88 3.73
-9 0 -3 2.79 5.86
-9 0 3 -2.73 4.89
0 9 -3 2.74 5.84
0 9 3 -2.75 6.65
-9 0 -5 7.80 8.42
-9 0 5 -5.16 6.17
0 -9 -5 -5.74 5.42
0 -9 5 -2.58 4.07
9 0 5 -1.90 2.26
9 0 5 -2.64 2.40
9 0 -5 10.60 5.71
9 0 5 -2.86 6.91
-9 0 -5 5.78 6.15
-9 0 5 2.79 3.97
0 9 -5 -5.29 6.33
0 9 5 -2.63 2.86
0 -9 7 -5.16 5.77
9 0 7 -1.89 5.61
9 0 7 -2.46 3.69
9 0 -7 -2.48 5.49
0 -9 -7 2.58 2.66
0 9 -7 3.04 4.44
-9 0 -7 3.00 4.39
0 9 -7 4.94 3.80
0 9 7 -2.43 5.30
0 -9 7 -3.06 2.97
-9 0 -7 -2.42 3.55
-9 0 7 -2.40 2.47
9 -1 0 1165.40 59.01
9 1 0 1057.77 49.17
9 1 0 1076.81 61.31
9 -1 0 948.67 57.52
1 9 0 1086.35 56.96
-1 9 0 1061.94 60.49
-9 -1 0 1070.90 59.29
-1 9 0 1097.56 63.30
1 9 0 1187.10 64.77
-9 -1 0 1113.24 62.46
1 -9 0 1075.86 58.85
-9 1 0 1083.85 61.27
-1 -9 0 1080.32 58.20
1 -9 0 1023.90 58.74
9 -1 2 412.20 34.56
9 1 2 445.11 30.39
9 1 2 432.38 38.48
9 1 -2 494.00 41.31
9 -1 2 446.44 40.03
9 -1 -2 559.35 44.24
1 9 -2 411.41 36.86
1 9 2 497.94 35.63
9 1 2 544.83 43.19
-9 -1 -2 444.91 38.89
-9 -1 2 509.18 40.92
-1 9 -2 471.38 41.77
-1 9 2 452.53 40.27
1 9 -2 533.84 43.46
1 9 2 512.25 42.45
-9 -1 -2 510.62 42.10
-9 -1 2 467.21 40.46
1 -9 -2 429.23 36.28
-1 -9 2 473.86 40.61
-9 1 -2 427.47 38.82
-9 1 2 475.84 40.54
1 -9 2 464.25 39.53
-1 -9 -2 438.11 37.69
1 -9 -2 489.67 41.21
-1 -9 2 513.77 39.04
1 -9 2 416.30 37.80
-1 -9 4 405.14 34.65
1 -9 4 475.69 40.06
9 -1 4 511.17 38.33
9 1 4 469.94 30.32
9 1 4 473.22 40.26
9 1 -4 515.62 41.90
9 -1 4 478.33 40.25
9 -1 -4 456.28 39.43
1 9 -4 473.41 41.30
1 9 4 454.86 30.32
9 1 4 504.77 41.96
-1 9 -4 487.35 42.81
-9 -1 -4 518.81 42.47
-9 1 -4 503.18 42.82
-9 -1 4 539.25 42.81
-1 9 -4 498.62 41.13
-1 9 4 383.42 36.49
1 9 -4 444.74 38.95
1 9 4 438.01 38.95
-9 -1 -4 349.97 34.04
-9 -1 4 424.45 38.14
-1 -9 4 453.71 36.47
-9 1 -4 501.86 41.67
-9 1 4 483.82 40.70
-1 -9 4 475.00 41.44
-1 -9 -4 512.58 42.45
1 -9 -4 462.19 40.84
-1 -9 6 299.54 29.51
1 -9 6 241.81 28.46
-9 1 6 196.92 25.10
9 -1 6 253.55 26.49
-1 -9 -6 241.36 29.08
9 1 6 248.75 28.25
9 1 -6 235.05 27.48
9 -1 6 268.10 29.49
9 -1 -6 233.46 27.70
1 9 6 256.10 25.99
9 1 6 228.26 28.64
-1 9 -6 257.08 31.60
-9 -1 -6 265.77 30.83
-9 1 -6 266.93 31.99
-1 9 -6 261.46 29.10
-1 9 6 248.19 27.93
1 9 -6 242.44 28.16
1 9 6 234.46 26.95
9 1 -6 235.11 23.18
-9 -1 -6 255.73 28.20
-9 1 -6 231.49 27.36
-1 -9 6 239.58 28.16
1 -9 -6 272.97 32.37
-9 -1 6 213.15 25.41
1 -9 8 572.20 44.30
9 -1 8 593.40 40.43
-1 -9 -8 645.61 48.27
1 -9 -8 663.25 44.94
9 1 8 593.41 41.71
9 1 -8 621.23 42.16
9 -1 -8 590.07 41.34
9 -1 8 612.52 41.74
-1 9 -8 609.43 47.78
-1 9 -8 588.00 41.54
-1 9 8 625.93 41.89
1 9 -8 564.23 40.90
1 9 8 588.45 40.80
-9 -1 -8 590.58 40.55
-9 -1 8 625.69 42.28
9 1 -8 649.35 41.91
-9 1 -8 553.02 39.79
-9 1 8 596.80 41.80
-1 -9 8 647.31 48.56
-2 -9 -1 95.49 17.35
2 -9 -1 53.03 13.64
-2 -9 1 79.39 16.15
2 -9 1 69.70 15.54
9 2 -1 80.30 13.00
9 -2 -1 111.19 19.01
9 -2 1 82.92 16.30
-2 -9 1 75.79 13.60
-2 -9 -1 86.02 17.16
9 2 -1 95.50 18.65
9 -2 -1 93.71 19.11
-2 9 -1 78.21 17.83
-2 9 1 105.53 18.49
9 -2 1 85.61 17.55
2 9 -1 72.39 15.46
9 2 1 71.89 16.75
2 9 1 108.08 16.95
-9 -2 -1 84.27 16.48
-9 2 -1 102.70 19.75
-9 2 1 85.01 17.47
-9 -2 1 104.83 18.66
-2 9 -1 124.35 21.93
2 9 -1 113.63 19.67
-2 -9 1 116.21 20.81
2 -9 -1 95.24 17.52
2 -9 1 82.81 16.93
-9 -2 -1 95.11 18.09
2 -9 -3 196.29 26.83
-9 2 -3 164.07 24.32
-9 2 3 156.01 24.59
2 -9 3 178.16 25.51
9 -2 3 208.64 25.68
2 -9 3 156.92 19.38
-2 -9 -3 169.64 24.17
-2 -9 3 180.82 25.13
-2 -9 3 146.27 19.90
9 2 3 157.09 23.95
9 2 -3 133.11 21.46
9 -2 3 184.80 25.26
9 -2 -3 203.67 26.45
2 9 3 172.09 19.91
9 -2 3 193.12 26.00
9 2 3 153.15 22.81
2 9 -3 139.49 22.01
-9 -2 -3 164.03 23.64
-9 2 -3 200.27 26.94
-9 2 3 146.64 23.52
-9 -2 3 173.86 23.39
-2 9 -3 158.50 24.01
-2 9 3 147.14 23.40
2 9 -3 190.12 26.01
2 9 3 145.02 22.88
2 -9 -3 154.74 21.04
-2 -9 3 172.33 24.78
-2 -9 -3 224.06 26.66
-9 -2 -3 178.78 25.36
-9 -2 3 161.33 24.12
-2 -9 3 216.20 24.22
-9 2 -5 10.69 6.46
-9 2 5 -2.67 2.42
-2 -9 5 12.78 6.28
2 -9 5 11.63 8.46
9 -2 5 7.42 2.55
2 -9 5 2.17 4.17
-2 -9 -5 5.29 6.96
-2 -9 5 7.96 5.65
9 2 5 13.27 6.28
9 2 -5 16.05 9.20
-2 -9 5 2.52 3.78
9 -2 -5 2.69 5.72
9 -2 5 10.74 7.12
2 9 5 2.36 3.81
-2 9 -5 -3.06 4.48
9 -2 5 2.87 6.11
9 2 5 13.69 6.55
-9 -2 -5 13.42 7.06
-9 2 -5 5.96 2.90
-9 2 5 2.94 3.03
-2 9 -5 8.15 2.95
-2 9 5 -2.69 7.20
2 9 -5 8.09 6.52
2 9 5 5.34 5.83
2 -9 5 2.86 4.51
2 -9 -5 10.92 5.43
-2 -9 5 11.69 8.33
-9 -2 -5 2.64 3.97
-9 -2 5 13.09 7.99
2 -9 -7 98.76 19.16
-9 2 -7 143.60 21.87
-9 2 7 142.75 21.24
2 -9 7 127.25 21.80
9 -2 7 161.74 22.48
9 2 7 138.74 21.03
9 2 -7 120.14 18.84
9 -2 -7 117.40 19.17
9 -2 7 170.26 23.11
-2 -9 7 139.74 22.49
-2 -9 -7 79.67 17.04
2 -9 -7 146.62 19.21
2 9 7 149.99 20.36
-2 9 -7 83.26 18.52
2 9 -7 149.88 23.45
-9 -2 -7 131.96 21.29
-9 2 -7 140.96 23.50
-2 9 -7 151.51 22.15
-2 9 7 116.23 19.53
2 9 -7 148.67 22.09
2 9 7 165.39 22.33
2 -9 7 148.49 24.39
-9 -2 -7 125.21 19.39
-9 -2 7 140.83 21.47
-3 -9 0 303.73 33.35
9 -3 0 266.64 30.43
3 -9 0 297.67 26.90
9 3 0 275.45 31.09
9 -3 0 269.98 31.93
3 9 0 285.96 29.79
-3 9 0 265.59 30.43
9 -3 0 251.07 28.82
-9 3 0 239.81 30.15
-9 -3 0 300.11 29.29
-3 9 0 252.54 30.87
3 9 0 303.91 33.58
-9 -3 0 223.48 28.23
3 -9 0 263.06 27.83
-3 -9 0 273.20 27.33
-3 -9 2 289.21 26.98
-3 -9 -2 278.45 31.57
-3 -9 2 279.61 32.42
9 -3 2 279.36 30.73
3 -9 2 321.25 29.32
9 3 2 232.67 28.63
9 3 -2 256.94 30.28
9 -3 -2 272.81 31.62
9 -3 2 311.05 33.96
3 9 2 347.10 34.58
3 9 -2 288.08 31.34
9 -3 2 316.95 33.01
-3 9 -2 347.82 36.08
-3 9 2 300.12 30.72
3 9 2 286.52 27.52
9 3 2 307.31 32.16
-9 -3 -2 300.86 30.17
-9 3 -2 287.99 32.02
-9 3 2 264.77 31.78
-9 -3 2 301.62 29.31
-3 9 -2 305.22 33.73
-3 9 2 284.94 32.80
3 9 -2 246.75 29.84
3 9 2 286.35 32.31
-9 -3 -2 338.30 34.65
-9 -3 2 249.28 29.74
-3 -9 2 310.52 33.50
3 -9 -2 303.12 28.79
-3 -9 -2 309.12 30.56
-3 -9 2 276.97 26.07
3 -9 2 275.38 31.93
3 -9 4 934.49 59.03
-3 -9 -4 1046.13 60.03
-3 -9 4 974.58 58.27
-3 -9 4 940.33 53.12
9 -3 4 969.60 57.88
3 -9 4 991.72 53.68
9 3 4 1109.28 62.03
9 3 -4 916.21 56.55
9 -3 -4 921.14 57.24
9 -3 4 938.23 57.82
3 9 4 1036.23 57.99
9 -3 4 1096.08 61.61
9 3 4 1044.57 58.22
3 9 -4 1094.13 62.30
-3 9 4 1036.58 53.09
-9 -3 -4 1033.00 56.73
-9 3 -4 1125.60 64.39
9 3 -4 974.47 60.22
-9 3 4 933.19 60.27
-9 -3 4 960.51 52.97
-3 9 -4 1007.02 59.89
-3 9 4 1083.27 62.00
3 9 -4 1072.25 61.95
3 9 4 967.96 58.60
-9 -3 -4 1017.08 59.80
-9 -3 4 1005.14 58.89
3 -9 4 987.43 57.59
3 -9 -4 1018.28 50.45
-3 -9 4 874.89 57.17
3 -9 -4 992.98 60.38
3 -9 6 638.62 49.43
-3 -9 -6 539.62 42.48
-3 -9 6 573.36 43.72
-9 -3 6 571.98 45.94
-3 -9 6 569.95 43.71
9 -3 6 497.79 41.62
3 -9 6 581.40 42.82
9 3 6 549.39 42.80
9 3 -6 549.09 42.92
9 -3 -6 529.51 42.19
9 -3 6 541.02 42.64
3 9 6 508.30 38.66
-3 9 -6 549.22 47.17
-9 -3 -6 567.70 43.35
-9 3 -6 588.10 47.50
9 3 -6 551.23 46.31
-3 9 -6 570.92 43.99
-3 9 6 546.98 42.88
3 9 -6 556.90 43.49
3 9 6 572.13 43.68
3 -9 6 553.01 44.59
-9 3 -6 503.98 41.59
-9 3 6 504.91 41.18
3 -9 -6 560.35 45.14
4 -9 -1 11.55 7.12
9 -4 -1 11.83 10.06
9 -4 1 11.67 7.12
4 -9 -1 15.13 6.33
4 -9 1 6.85 6.16
-4 -9 -1 17.45 9.48
9 4 -1 29.52 11.59
9 -4 -1 17.77 7.86
4 9 -1 8.98 3.25
4 9 1 29.29 10.57
-4 9 -1 8.58 5.41
-4 9 1 18.28 6.99
9 -4 1 10.09 7.34
9 -4 -1 12.25 6.50
9 4 1 7.53 5.55
4 9 -1 18.32 8.04
4 9 1 16.21 7.16
-9 4 -1 14.17 6.03
-9 -4 -1 6.24 5.13
-9 4 1 5.70 8.75
-9 -4 1 18.18 7.65
9 4 -1 17.23 8.18
-4 9 -1 21.23 9.88
4 9 -1 12.04 5.49
4 -9 1 15.86 6.21
-9 -4 1 15.26 7.40
-4 -9 1 5.78 6.84
-4 -9 -3 27.07 9.95
4 -9 -3 40.11 12.17
9 -4 3 26.10 9.45
4 -9 3 26.80 9.22
-4 -9 -3 34.27 11.64
-4 -9 3 40.31 12.15
9 4 3 17.26 8.83
9 4 -3 31.91 11.39
9 -4 -3 26.09 9.92
9 -4 3 17.42 8.91
-9 -4 3 29.08 10.96
-9 -4 -3 40.77 11.87
4 9 -3 57.13 14.73
-9 -4 3 16.50 7.89
4 9 3 42.28 11.15
-4 9 -3 36.62 11.60
-4 9 3 25.44 9.56
9 -4 3 39.29 13.18
9 4 3 39.79 9.45
-4 -9 3 30.98 8.75
9 -4 -3 24.06 9.18
4 9 -3 22.82 10.24
4 9 3 27.18 8.56
-9 -4 -3 43.74 10.45
-9 4 -3 37.13 11.64
-9 4 3 46.25 15.15
-9 -4 3 49.77 11.98
-4 9 -3 32.67 10.71
-4 9 3 26.69 11.68
4 9 -3 32.54 11.15
4 9 3 14.70 7.86
4 -9 3 17.40 8.67
-4 -9 3 22.88 9.42
4 -9 -5 2.85 6.30
9 -4 5 5.82 3.16
4 -9 5 -5.21 10.98
-4 -9 -5 2.75 5.10
-4 -9 5 5.53 7.40
9 4 5 2.75 2.99
9 4 -5 -2.78 5.98
9 -4 -5 5.55 7.37
9 -4 5 -2.77 5.14
-9 -4 5 5.55 4.17
-9 -4 -5 8.34 8.48
4 9 -5 5.92 6.46
4 9 5 10.54 6.49
-9 -4 5 11.71 8.93
9 4 5 -4.93 6.07
-4 -9 5 2.55 4.02
4 9 -5 3.03 4.56
-9 -4 -5 4.62 2.75
-9 4 -5 5.79 6.93
-4 9 -5 2.83 5.26
-4 9 5 -2.80 6.12
4 9 -5 -2.84 5.36
4 9 5 -8.41 5.38
4 -9 5 -5.41 3.08
-4 -9 5 2.82 4.86
5 -9 0 551.48 45.12
-5 -9 0 549.15 46.39
5 -9 0 585.76 42.85
-9 -5 0 572.75 46.49
9 5 0 590.32 47.95
9 -5 0 561.37 46.40
9 -5 0 613.42 42.17
-5 9 0 540.64 44.23
5 9 0 600.95 43.43
9 5 0 610.89 43.17
9 5 0 537.98 43.77
-9 5 0 586.39 45.66
-5 9 0 600.85 48.47
5 9 0 581.67 47.67
-5 9 0 578.73 47.87
-9 -5 0 613.00 42.33
5 -9 2 342.31 35.62
5 -9 -2 314.87 30.65
5 -9 2 377.33 35.04
5 9 2 317.67 34.75
-5 9 -2 306.39 33.75
-5 9 2 289.98 30.51
9 5 2 294.16 29.42
9 -5 -2 285.99 28.51
5 9 -2 338.15 34.27
5 9 2 332.68 29.72
9 5 -2 319.93 34.38
-9 5 -2 272.14 30.85
-9 5 2 350.03 35.39
5 -9 2 362.16 32.06
-5 -9 2 401.08 38.04
-9 -5 2 342.68 33.56
5 -9 -2 376.07 36.96
-5 -9 4 401.35 34.67
9 -5 -4 388.39 32.67
5 -9 4 405.46 35.14
-10 0 0 56.91 15.29
0 -10 0 42.21 13.12
10 0 0 47.99 12.23
10 0 0 60.83 15.59
0 10 0 89.26 16.33
10 0 0 46.91 13.56
-10 0 0 76.53 16.69
0 10 0 73.98 17.15
0 -10 0 61.10 14.54
-10 0 -2 175.15 26.19
-10 0 2 195.31 26.12
10 0 2 183.42 22.05
10 0 2 183.87 25.99
10 0 -2 186.98 26.83
0 10 -2 239.85 29.30
0 10 2 255.16 26.87
10 0 2 174.38 26.11
-10 0 -2 280.19 32.98
-10 0 2 255.93 30.90
0 10 -2 206.81 28.49
0 10 2 176.92 26.28
0 -10 -2 222.09 28.75
0 -10 2 169.73 26.88
0 -10 -2 231.75 28.92
0 -10 2 276.44 31.35
0 -10 4 1303.45 67.23
10 0 4 1194.80 65.98
10 0 -4 1211.81 66.66
0 10 -4 1297.75 70.00
10 0 4 1204.65 67.31
-10 0 -4 1215.50 68.62
-10 0 4 1132.81 66.60
0 10 -4 1138.40 64.98
0 10 4 1272.37 68.45
-10 0 -4 1303.00 68.30
-10 0 4 1278.09 68.27
0 -10 -4 1175.35 64.29
0 -10 -4 1252.27 68.94
-10 1 -1 -3.01 4.28
-1 -10 -1 -2.73 2.96
1 -10 -1 2.95 4.66
-1 -10 1 5.27 3.00
1 -10 1 2.91 6.43
10 -1 -1 -2.50 5.58
10 1 -1 5.90 2.34
10 -1 1 -2.39 3.68
10 1 -1 3.03 2.95
10 -1 -1 9.15 7.96
10 1 1 2.92 5.43
1 10 -1 2.66 5.03
1 10 1 -4.70 2.55
10 -1 -1 -2.91 2.82
-10 -1 -1 2.84 6.78
-10 -1 1 -5.61 5.97
-1 10 -1 3.10 4.65
1 10 -1 3.06 4.48
-1 -10 -1 -5.97 7.50
1 -10 -1 -5.49 3.12
1 -10 1 -11.36 10.43
-10 -1 -1 -3.00 4.26
-10 1 -3 -2.95 7.06
-10 1 3 -2.94 4.42
-1 -10 -3 14.20 7.66
1 -10 -3 3.02 6.67
-1 -10 3 -5.13 5.00
1 -10 3 -5.80 5.39
10 -1 3 -2.30 3.55
10 1 3 20.76 9.72
10 1 -3 5.96 5.44
10 -1 3 5.99 4.50
10 -1 -3 -2.99 2.90
10 1 3 -5.90 6.36
1 10 -3 5.81 6.26
-10 -1 -3 2.89 5.28
-10 1 3 -3.04 3.13
-10 -1 3 -2.81 4.22
-1 10 -3 -3.02 4.54
-1 10 3 -3.02 4.54
1 10 -3 2.99 5.46
1 10 3 -3.00 6.46
1 -10 -3 -2.65 9.28
-1 -10 3 -3.07 10.43
-10 -1 -3 -2.94 2.85
-10 -1 3 8.77 7.69
-1 -10 5 7.52 4.89
10 -1 5 -2.23 4.36
1 10 5 -2.38 3.93
1 -10 -5 2.55 5.64
-2 -10 0 673.22 50.94
10 -2 0 795.35 52.45
10 2 0 764.25 53.84
10 -2 0 803.06 55.66
2 10 0 779.64 49.31
-2 10 0 812.91 54.54
10 -2 0 749.50 53.02
10 2 0 704.74 51.14
-10 2 0 677.08 51.43
-10 -2 0 673.85 47.61
-2 10 0 695.51 53.42
2 10 0 717.61 53.25
-10 -2 0 816.13 55.74
-2 -10 0 670.57 50.88
2 -10 0 755.57 50.25
-10 2 0 829.70 56.15
-2 -10 0 839.96 51.15
2 -10 0 753.91 53.90
10 -2 -2 376.79 37.33
10 -2 2 311.04 32.42
10 2 2 354.87 36.69
10 2 -2 365.85 37.81
10 -2 2 429.80 40.35
10 -2 -2 343.36 36.75
2 10 -2 343.39 35.16
2 10 2 292.00 27.69
10 -2 2 350.52 36.50
-2 10 -2 356.13 37.78
10 2 2 343.13 35.47
-10 -2 -2 424.35 38.05
-10 2 -2 355.70 37.24
-10 2 2 351.71 38.24
-10 -2 2 337.32 33.83
-2 10 -2 353.57 37.25
-2 10 2 384.92 39.08
2 10 -2 376.19 37.76
2 10 2 348.91 36.41
-10 -2 -2 347.64 36.23
-10 -2 2 351.92 36.35
-2 -10 2 344.98 36.80
2 -10 -2 318.58 31.58
-10 2 -2 365.06 37.52
-10 2 2 342.13 36.92
-2 -10 -2 350.90 34.01
2 -10 -2 370.92 37.40
-2 -10 2 346.56 32.25
2 -10 2 349.68 36.80
10 -2 4 346.09 32.91
2 10 4 332.83 33.28
-10 -2 4 306.62 32.49
-2 -10 4 317.12 30.52
2 -10 -4 375.87 33.82
-3 -10 -1 7.13 5.44
10 -3 1 2.83 6.10
-3 10 1 -2.75 4.23
10 -3 -1 2.76 6.02
3 10 -1 5.34 5.13
3 10 1 4.69 4.50
-10 -3 -1 -2.47 4.67
-10 -3 1 2.42 2.76
3 -10 -1 -2.38 5.18
-3 -10 -3 -2.54 6.97
-10 -3 -3 -2.54 4.72
-10 -3 3 -2.39 3.68
3 -10 -3 -2.20 3.64
0 0 0 0.00 0.00
TITL asr-161-a02_autored in I4/mcm
REM I4/mcm (#140 in standard setting)
CELL 0.71073 6.200792 6.200792 9.693700 90.0000 90.0000 90.0000
ZERR 1.00 0.000083 0.000083 0.000232 0.0000 0.0000 0.0000
LATT 2
SYMM -x,-y, z
SYMM -y, x, z
SYMM y,-x, z
SYMM -x, y,-z+1/2
SYMM x,-y,-z+1/2
SYMM y, x,-z+1/2
SYMM -y,-x,-z+1/2
SFAC Al Si Ru
UNIT 12.89 7.11 4.00
REM CrysAlisPro recorded range (K): Min=296.4; max=296.9; aver:296.6
TEMP 24
SIZE 0.02 0.03 0.05
TREF
HKLF 4
END
_computing_structure_solution 'SHELXT 2018/2 (Sheldrick, 2018)'
;
_shelx_hkl_checksum 51633
_shelx_res_file
;
TITL asr-161-a02_a.res in I4/mcm
asr-161-a02_a.res
created by SHELXL-2019/3 at 20:42:06 on 22-Aug-2023
REM Old TITL asr-161-a02_autored in I4/mcm
REM SHELXT solution in I4/mcm: R1 0.026, Rweak 0.000, Alpha 0.009
REM 1.543 for 20 systematic absences, Orientation as input
REM Formula found by SHELXT: Ru Si5
CELL 0.71073 6.200792 6.200792 9.693700 90.0000 90.0000 90.0000
ZERR 4.00 0.000083 0.000083 0.000232 0.0000 0.0000 0.0000
LATT 2
SYMM -X, -Y, Z
SYMM -Y, X, Z
SYMM Y, -X, Z
SYMM -X, Y, 1/2-Z
SYMM X, -Y, 1/2-Z
SYMM Y, X, 1/2-Z
SYMM -Y, -X, 1/2-Z
SFAC AL RU SI
UNIT 11.33 4.00 8.67
TEMP 24
SIZE 0.024 0.030 0.047
L.S. 30
ACTA
MORE -1
REM Al 47.31(55) Ru 16.27(26) Si 36.42(59) / 100
REM Al 2.838(33) Ru 0.976(16) Si 2.185(36) / 6
SUMP 1.838 0.033 4 2
SUMP -1.815 0.036 -4 2
WGHT 0.008400 0.216700
EXTI 0.003727
FVAR 0.46205 0.45821
RU1 2 0.000000 0.000000 0.250000 10.12500 0.00611 0.00611 =
0.00414 0.00000 0.00000 0.00000
AL2 1 0.000000 0.000000 0.000000 10.12500 0.01743 0.01743 =
0.00477 0.00000 0.00000 0.00000
SI3 3 0.148542 0.648542 0.143855 -20.50000 0.01030 0.01030 =
0.01304 0.00111 0.00111 0.00364
AL3 1 0.148542 0.648542 0.143855 20.50000 0.01030 0.01030 =
0.01304 0.00111 0.00111 0.00364
EXYZ AL3 SI3
EADP AL3 SI3
HKLF 4
REM asr-161-a02_a.res in I4/mcm
REM wR2 = 0.0214, GooF = S = 1.208, Restrained GooF = 1.204 for all data
REM R1 = 0.0094 for 279 Fo > 4sig(Fo) and 0.0105 for all 295 data
REM 13 parameters refined using 2 restraints
END
WGHT 0.0086 0.2140
REM Highest difference peak 0.441, deepest hole -0.421, 1-sigma level 0.091
Q1 1 0.3552 0.8552 0.1519 10.50000 0.05 0.44
Q2 1 0.0000 0.5000 0.1211 10.25000 0.05 0.37
Q3 1 0.0000 0.5000 0.1919 10.25000 0.05 0.29
Q4 1 0.1275 0.6275 0.1988 10.50000 0.05 0.28
Q5 1 0.1045 0.6045 0.0992 10.50000 0.05 0.27
Q6 1 0.3669 0.5751 0.1207 11.00000 0.05 0.26
Q7 1 0.0836 0.1442 0.3110 11.00000 0.05 0.26
Q8 1 0.0690 0.0243 0.3481 11.00000 0.05 0.25
Q9 1 0.1726 0.1726 0.2500 10.50000 0.05 0.24
Q10 1 0.1332 0.7177 0.2219 11.00000 0.05 0.23
Q11 1 0.1311 0.6311 0.0000 10.25000 0.05 0.22
Q12 1 0.3525 0.8525 0.0433 10.50000 0.05 0.21
Q13 1 0.0000 0.0000 0.1335 10.25000 0.05 0.21
Q14 1 0.1990 -0.0068 0.2991 11.00000 0.05 0.20
Q15 1 0.2409 0.4681 0.0380 11.00000 0.05 0.19
Q16 1 0.3699 0.7504 0.0799 11.00000 0.05 0.19
Q17 1 0.2056 0.8802 0.1539 11.00000 0.05 0.18
Q18 1 0.2372 0.5608 0.0887 11.00000 0.05 0.18
Q19 1 0.2541 0.5995 0.0000 10.50000 0.05 0.18
Q20 1 -0.0876 -0.0085 0.0829 11.00000 0.05 0.18
;
_shelx_res_checksum 73518
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'-x, y, -z+1/2'
'x, -y, -z+1/2'
'y, x, -z+1/2'
'-y, -x, -z+1/2'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1'
'x+1/2, -y+1/2, -z+1'
'y+1/2, x+1/2, -z+1'
'-y+1/2, -x+1/2, -z+1'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x, -y, z-1/2'
'-x, y, z-1/2'
'-y, -x, z-1/2'
'y, x, z-1/2'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'-y+1/2, -x+1/2, z'
'y+1/2, x+1/2, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru1 0.000000 0.000000 0.250000 0.00545(5) Uani d 1 . .
Al Al2 0.000000 0.000000 0.000000 0.01321(14) Uani d 1 . .
Si Si3 0.14854(4) 0.64854(4) 0.14385(4) 0.01122(8) Uani d 0.542(6) . .
Al Al3 0.14854(4) 0.64854(4) 0.14385(4) 0.01122(8) Uani d 0.458(6) . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Ru1 0.00611(6) 0.00611(6) 0.00414(7) 0.000 0.000 0.000
Al2 0.0174(2) 0.0174(2) 0.0048(3) 0.000 0.000 0.000
Si3 0.01030(10) 0.01030(10) 0.01304(15) 0.00364(11) 0.00111(8) 0.00111(8)
Al3 0.01030(10) 0.01030(10) 0.01304(15) 0.00364(11) 0.00111(8) 0.00111(8)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Al2 Ru1 Al2 5 . 180.0 ?
Al2 Ru1 Si3 5 4_455 113.504(7) ?
Al2 Ru1 Si3 . 4_455 66.496(7) ?
Al2 Ru1 Si3 5 27_455 66.496(7) ?
Al2 Ru1 Si3 . 27_455 113.504(7) ?
Si3 Ru1 Si3 4_455 27_455 139.656(16) ?
Al2 Ru1 Si3 5 1_545 113.504(7) ?
Al2 Ru1 Si3 . 1_545 66.496(7) ?
Si3 Ru1 Si3 4_455 1_545 80.848(5) ?
Si3 Ru1 Si3 27_455 1_545 138.167(15) ?
Al2 Ru1 Si3 5 25 66.496(7) ?
Al2 Ru1 Si3 . 25 113.504(7) ?
Si3 Ru1 Si3 4_455 25 138.167(15) ?
Si3 Ru1 Si3 27_455 25 80.848(5) ?
Si3 Ru1 Si3 1_545 25 63.637(14) ?
Al2 Ru1 Si3 5 28_545 66.496(7) ?
Al2 Ru1 Si3 . 28_545 113.504(7) ?
Si3 Ru1 Si3 4_455 28_545 63.637(14) ?
Si3 Ru1 Si3 27_455 28_545 132.991(15) ?
Si3 Ru1 Si3 1_545 28_545 64.724(16) ?
Si3 Ru1 Si3 25 28_545 80.848(5) ?
Al2 Ru1 Si3 5 3_655 113.504(7) ?
Al2 Ru1 Si3 . 3_655 66.496(7) ?
Si3 Ru1 Si3 4_455 3_655 132.991(15) ?
Si3 Ru1 Si3 27_455 3_655 63.637(14) ?
Si3 Ru1 Si3 1_545 3_655 80.848(5) ?
Si3 Ru1 Si3 25 3_655 64.724(16) ?
Si3 Ru1 Si3 28_545 3_655 139.656(16) ?
Al2 Ru1 Si3 5 26_445 66.496(7) ?
Al2 Ru1 Si3 . 26_445 113.504(7) ?
Si3 Ru1 Si3 4_455 26_445 64.724(16) ?
Si3 Ru1 Si3 27_455 26_445 80.848(5) ?
Si3 Ru1 Si3 1_545 26_445 139.656(16) ?
Si3 Ru1 Si3 25 26_445 132.991(15) ?
Si3 Ru1 Si3 28_545 26_445 80.848(5) ?
Si3 Ru1 Si3 3_655 26_445 138.167(15) ?
Al2 Ru1 Si3 5 2_565 113.504(7) ?
Al2 Ru1 Si3 . 2_565 66.496(7) ?
Si3 Ru1 Si3 4_455 2_565 80.848(5) ?
Si3 Ru1 Si3 27_455 2_565 64.724(16) ?
Si3 Ru1 Si3 1_545 2_565 132.991(15) ?
Si3 Ru1 Si3 25 2_565 139.656(16) ?
Si3 Ru1 Si3 28_545 2_565 138.167(15) ?
Si3 Ru1 Si3 3_655 2_565 80.848(5) ?
Si3 Ru1 Si3 26_445 2_565 63.637(14) ?
Ru1 Al2 Ru1 17 . 180.0 ?
Ru1 Al2 Si3 17 19_455 59.486(7) ?
Ru1 Al2 Si3 . 19_455 120.514(7) ?
Ru1 Al2 Si3 17 3_655 120.514(7) ?
Ru1 Al2 Si3 . 3_655 59.486(7) ?
Si3 Al2 Si3 19_455 3_655 180.000(13) ?
Ru1 Al2 Si3 17 18_545 59.486(7) ?
Ru1 Al2 Si3 . 18_545 120.514(7) ?
Si3 Al2 Si3 19_455 18_545 75.060(6) ?
Si3 Al2 Si3 3_655 18_545 104.940(6) ?
Ru1 Al2 Si3 17 2_565 120.514(7) ?
Ru1 Al2 Si3 . 2_565 59.486(7) ?
Si3 Al2 Si3 19_455 2_565 104.940(6) ?
Si3 Al2 Si3 3_655 2_565 75.060(6) ?
Si3 Al2 Si3 18_545 2_565 180.00(2) ?
Ru1 Al2 Si3 17 20_655 59.486(7) ?
Ru1 Al2 Si3 . 20_655 120.514(7) ?
Si3 Al2 Si3 19_455 20_655 118.971(13) ?
Si3 Al2 Si3 3_655 20_655 61.029(13) ?
Si3 Al2 Si3 18_545 20_655 75.060(6) ?
Si3 Al2 Si3 2_565 20_655 104.940(6) ?
Ru1 Al2 Si3 17 4_455 120.514(7) ?
Ru1 Al2 Si3 . 4_455 59.486(7) ?
Si3 Al2 Si3 19_455 4_455 61.029(13) ?
Si3 Al2 Si3 3_655 4_455 118.971(13) ?
Si3 Al2 Si3 18_545 4_455 104.940(6) ?
Si3 Al2 Si3 2_565 4_455 75.060(6) ?
Si3 Al2 Si3 20_655 4_455 180.000(17) ?
Ru1 Al2 Si3 17 17_565 59.486(7) ?
Ru1 Al2 Si3 . 17_565 120.514(7) ?
Si3 Al2 Si3 19_455 17_565 75.060(6) ?
Si3 Al2 Si3 3_655 17_565 104.940(6) ?
Si3 Al2 Si3 18_545 17_565 118.971(13) ?
Si3 Al2 Si3 2_565 17_565 61.029(13) ?
Si3 Al2 Si3 20_655 17_565 75.060(6) ?
Si3 Al2 Si3 4_455 17_565 104.940(6) ?
Ru1 Al2 Si3 17 1_545 120.514(7) ?
Ru1 Al2 Si3 . 1_545 59.486(7) ?
Si3 Al2 Si3 19_455 1_545 104.940(6) ?
Si3 Al2 Si3 3_655 1_545 75.060(6) ?
Si3 Al2 Si3 18_545 1_545 61.029(13) ?
Si3 Al2 Si3 2_565 1_545 118.971(13) ?
Si3 Al2 Si3 20_655 1_545 104.940(6) ?
Si3 Al2 Si3 4_455 1_545 75.060(6) ?
Si3 Al2 Si3 17_565 1_545 180.000(13) ?
Ru1 Al3 Ru1 1_565 25 116.363(14) ?
Ru1 Al3 Si3 1_565 2_565 110.173(8) ?
Ru1 Al3 Si3 25 2_565 110.173(8) ?
Ru1 Al3 Si3 1_565 25_565 58.182(7) ?
Ru1 Al3 Si3 25 25_565 58.182(7) ?
Si3 Al3 Si3 2_565 25_565 130.850(15) ?
Ru1 Al3 Al2 1_565 1_565 54.019(3) ?
Ru1 Al3 Al2 25 1_565 140.272(15) ?
Si3 Al3 Al2 2_565 1_565 108.902(7) ?
Si3 Al3 Al2 25_565 1_565 99.916(13) ?
Ru1 Al3 Al2 1_565 13_554 140.272(15) ?
Ru1 Al3 Al2 25 13_554 54.019(3) ?
Si3 Al3 Al2 2_565 13_554 108.902(7) ?
Si3 Al3 Al2 25_565 13_554 99.916(13) ?
Al2 Al3 Al2 1_565 13_554 105.930(12) ?
Ru1 Al3 Si3 1_565 28 57.638(8) ?
Ru1 Al3 Si3 25 28 105.441(17) ?
Si3 Al3 Si3 2_565 28 61.861(8) ?
Si3 Al3 Si3 25_565 28 75.218(17) ?
Al2 Al3 Si3 1_565 28 98.895(8) ?
Al2 Al3 Si3 13_554 28 155.175(11) ?
Ru1 Al3 Si3 1_565 27_455 105.441(17) ?
Ru1 Al3 Si3 25 27_455 57.638(8) ?
Si3 Al3 Si3 2_565 27_455 61.861(8) ?
Si3 Al3 Si3 25_565 27_455 75.218(17) ?
Al2 Al3 Si3 1_565 27_455 155.175(11) ?
Al2 Al3 Si3 13_554 27_455 98.895(8) ?
Si3 Al3 Si3 28 27_455 56.280(15) ?
Ru1 Al3 Si3 1_565 18 113.504(7) ?
Ru1 Al3 Si3 25 18 113.504(7) ?
Si3 Al3 Si3 2_565 18 90.0 ?
Si3 Al3 Si3 25_565 18 139.151(15) ?
Al2 Al3 Si3 1_565 18 59.485(7) ?
Al2 Al3 Si3 13_554 18 59.485(7) ?
Si3 Al3 Si3 28 18 138.167(13) ?
Si3 Al3 Si3 27_455 18 138.167(13) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ru1 Al2 5 2.42343(6) ?
Ru1 Al2 . 2.42343(6) ?
Ru1 Si3 4_455 2.5800(2) ?
Ru1 Si3 27_455 2.5800(2) ?
Ru1 Si3 1_545 2.5800(2) ?
Ru1 Si3 25 2.5800(2) ?
Ru1 Si3 28_545 2.5800(2) ?
Ru1 Si3 3_655 2.5800(2) ?
Ru1 Si3 26_445 2.58003(19) ?
Ru1 Si3 2_565 2.5800(2) ?
Al2 Si3 19_455 2.7463(2) ?
Al2 Si3 3_655 2.7463(2) ?
Al2 Si3 18_545 2.7463(2) ?
Al2 Si3 2_565 2.7463(2) ?
Al2 Si3 20_655 2.7463(2) ?
Al2 Si3 4_455 2.7463(2) ?
Al2 Si3 17_565 2.7463(2) ?
Al2 Si3 1_545 2.7463(2) ?
_cod_database_fobs_code 2312361