#------------------------------------------------------------------------------
#$Date: 2016-04-03 01:25:44 +0300 (Sun, 03 Apr 2016) $
#$Revision: 181043 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/21/23/2212399.hkl $
#------------------------------------------------------------------------------
#
# 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_2212399_Fobs
loop_
_publ_author_name
'Tobash, Paul H.'
'Yamasaki, Yuki'
'Bobev, Svilen'
_publ_section_title
;
Gallium--tin mixing in BaGa~4{-~x}Sn~x~ [x =
0.89(2)] with the BaAl~4~ structure type
;
_journal_coeditor_code WM2086
_journal_issue 2
_journal_name_full 'Acta Crystallographica Section E'
_journal_page_first i35
_journal_page_last i37
_journal_volume 63
_journal_year 2007
_space_group_IT_number 139
_symmetry_space_group_name_Hall '-I 4 2'
_symmetry_space_group_name_H-M 'I 4/m m m'
_cell_angle_alpha 90.000
_cell_angle_beta 90.000
_cell_angle_gamma 90.000
_cell_length_a 4.7455
_cell_length_b 4.7455
_cell_length_c 10.5542
_exptl_crystal_F_000 394.20
_reflns_d_resolution_high 0.7753
_cod_data_source_file wm2086Isup2.hkl
_cod_data_source_block I
#BEGIN Tags that were not found in dictionaries:
_shelx_title ' final in I4/mmm'
_shelx_refln_list_code 4
_shelx_f_calc_maximum 295.68
_shelx_f_squared_multiplier 1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'-x, y, -z'
'x, -y, -z'
'y, x, -z'
'-y, -x, -z'
'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+1/2'
'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, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'x, -y, z'
'-x, y, z'
'-y, -x, z'
'y, x, z'
'-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+1/2'
'-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'
loop_
_refln_index_h
_refln_index_k
_refln_index_l
_refln_F_squared_calc
_refln_F_squared_meas
_refln_F_squared_sigma
_refln_observed_status
1 1 0 9916.25 10157.17 112.74 o
0 2 0 87424.21 89172.22 1049.65 o
2 2 0 61120.44 61299.97 539.47 o
1 3 0 5183.97 5349.88 67.62 o
3 3 0 3420.85 3330.18 93.86 o
0 4 0 34454.88 36135.42 361.80 o
2 4 0 26860.78 25442.75 229.36 o
4 4 0 13908.45 13235.75 300.78 o
1 5 0 2423.01 2513.13 77.00 o
3 5 0 1777.15 1775.05 92.74 o
0 6 0 11417.84 11643.88 362.25 o
0 1 1 46.59 53.98 6.29 o
1 2 1 43.15 55.90 6.59 o
0 3 1 45.50 65.26 11.56 o
2 3 1 55.75 105.23 20.25 o
1 4 1 66.60 75.40 11.59 o
3 4 1 79.39 81.54 17.24 o
0 5 1 79.39 75.76 20.57 o
2 5 1 81.04 77.69 18.84 o
1 6 1 78.40 95.23 21.00 o
0 0 2 653.01 655.07 23.15 o
1 1 2 40126.44 39266.53 195.20 o
0 2 2 324.92 373.22 15.72 o
2 2 2 177.29 171.74 15.55 o
1 3 2 19964.96 18643.47 97.71 o
3 3 2 11859.08 11484.80 150.54 o
0 4 2 32.42 62.48 15.95 o
2 4 2 9.16 11.93 12.94 o
4 4 2 4.20 19.14 25.74 o
1 5 2 7581.27 7557.03 105.20 o
3 5 2 5075.58 4948.32 85.89 o
0 6 2 8.59 13.95 32.97 o
0 1 3 29322.66 30118.41 147.37 o
1 2 3 20136.16 20225.89 96.36 o
0 3 3 14949.62 15397.61 125.10 o
2 3 3 11549.26 11163.22 93.70 o
1 4 3 9145.48 9023.20 110.84 o
3 4 3 6015.38 6006.66 83.60 o
0 5 3 6015.38 6043.09 130.10 o
2 5 3 4964.65 5038.99 85.47 o
0 0 4 6653.54 6351.77 100.91 o
1 1 4 15342.34 15565.82 119.04 o
0 2 4 4583.63 4438.77 49.78 o
2 2 4 3429.56 3301.36 62.70 o
1 3 4 7377.11 7377.86 64.12 o
3 3 4 3831.62 4176.43 229.00 o
0 4 4 2147.93 2160.22 74.44 o
2 4 4 1747.05 1778.11 46.85 o
4 4 4 995.03 1004.28 78.20 o
1 5 4 2125.12 2183.71 62.71 o
3 5 4 1241.06 1299.97 65.14 o
0 1 5 22148.93 22712.33 150.42 o
1 2 5 16264.07 16298.88 90.84 o
0 3 5 12481.86 12394.66 163.34 o
2 3 5 9838.97 9886.76 91.58 o
1 4 5 7899.46 7680.49 117.78 o
3 4 5 5295.03 5603.98 84.83 o
0 5 5 5295.03 5128.64 148.60 o
2 5 5 4401.69 4614.84 103.29 o
0 0 6 443.92 435.63 33.91 o
1 1 6 22872.02 22810.69 173.00 o
0 2 6 248.09 298.31 25.99 o
2 2 6 127.81 158.78 20.28 o
1 3 6 13286.70 13167.06 105.73 o
3 3 6 8387.82 8608.37 163.08 o
0 4 6 25.29 47.38 22.52 o
2 4 6 8.57 110.28 36.29 o
1 5 6 5564.79 5573.99 104.30 o
0 1 7 24.22 67.00 15.49 o
1 2 7 35.39 54.42 14.15 o
0 3 7 45.98 56.49 30.42 o
2 3 7 53.99 78.71 16.63 o
1 4 7 59.05 97.12 22.98 o
3 4 7 62.15 49.77 26.09 o
0 5 7 62.15 48.02 41.40 o
0 0 8 46884.69 48284.53 820.30 o
1 1 8 3755.96 3781.08 79.39 o
0 2 8 35919.93 35817.31 265.06 o
2 2 8 28086.71 27254.67 252.10 o
1 3 8 2625.68 2669.32 57.33 o
3 3 8 1914.50 1992.94 98.65 o
0 4 8 17960.99 17921.03 216.95 o
2 4 8 14618.87 14777.66 171.20 o
0 1 9 8.46 31.00 18.44 o
1 2 9 15.99 30.00 14.59 o
0 3 9 22.72 60.30 31.13 o
2 3 9 27.91 45.20 22.34 o
1 4 9 31.51 30.38 23.11 o
0 0 10 104.05 105.25 62.95 o
1 1 10 11300.37 11038.63 151.98 o
0 2 10 52.04 85.90 26.23 o
2 2 10 23.88 46.51 30.11 o
1 3 10 7341.92 7263.01 116.64 o
0 4 10 2.90 80.31 37.37 o
0 1 11 6911.36 6745.96 143.86 o
1 2 11 5676.60 5667.89 115.23 o
0 3 11 4708.74 4572.82 152.15 o
2 3 11 3939.58 4042.02 120.04 o
0 0 12 1376.68 1306.63 145.10 o
1 1 12 3274.48 3248.97 106.95 o
0 2 12 1138.93 1173.49 85.87 o
2 2 12 949.24 917.16 101.75 o
0 1 13 4778.50 4931.90 137.19 o