#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/49/2204979.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_2204979_Fobs
loop_
_publ_author_name
'Tkachuk, Andriy V.'
'Mar, Arthur'
_publ_section_title
;
 Lanthanum iron trigermanide, LaFeGe~3~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i1
_journal_page_last               i2
_journal_volume                  61
_journal_year                    2005
_space_group_IT_number           107
_symmetry_space_group_name_Hall  'I 4 -2'
_symmetry_space_group_name_H-M   'I 4 m m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.3660
_cell_length_b                   4.3660
_cell_length_c                   9.9726
_exptl_crystal_F_000             358.00
_reflns_d_resolution_high        0.6543
_[local]_cod_data_source_file    wm6044Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' LaFeGe3 I4mm LSF final refinement'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            266.46
_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'
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
0 1 -15 742.02 820.94 71.17 o
0 0 -14 368.80 378.26 72.06 o
1 1 -14 5916.91 6629.96 260.82 o
0 2 -14 338.65 365.14 58.37 o
0 1 -13 742.01 786.00 48.84 o
1 2 -13 672.98 742.14 54.96 o
0 3 -13 533.74 571.88 67.68 o
0 0 -12 11148.68 10757.16 551.26 o
1 1 -12 752.44 778.02 52.28 o
0 2 -12 9415.84 9449.09 411.24 o
2 2 -12 8038.14 8378.97 384.47 o
1 3 -12 649.87 692.64 66.82 o
0 4 -12 6034.39 7329.72 625.78 o
0 1 -11 1789.62 1775.09 64.72 o
1 2 -11 1510.81 1631.21 88.29 o
0 3 -11 1375.54 1295.70 97.98 o
2 3 -11 1177.95 1205.92 65.64 o
1 4 -11 958.04 1039.63 69.01 o
0 0 -10 769.99 892.97 115.35 o
1 1 -10 5614.07 5676.18 179.88 o
0 2 -10 569.47 660.98 79.41 o
2 2 -10 431.23 484.71 69.68 o
1 3 -10 3860.78 4395.18 133.21 o
3 3 -10 2745.40 2986.45 144.84 o
0 4 -10 266.98 303.16 79.73 o
2 4 -10 215.60 205.44 65.84 o
0 1 -9 10203.79 10310.95 334.29 o
1 2 -9 8494.26 8833.84 231.81 o
0 3 -9 6945.47 7154.98 282.77 o
2 3 -9 5965.54 6275.09 176.21 o
1 4 -9 5358.61 5739.84 167.41 o
3 4 -9 4025.59 4291.66 152.71 o
0 5 -9 3783.43 4258.95 225.62 o
2 5 -9 3379.57 4613.98 383.68 o
0 0 -8 9624.03 10009.60 722.37 o
1 1 -8 1713.90 1724.97 69.51 o
0 2 -8 7676.82 7710.26 576.47 o
2 2 -8 6258.11 6425.16 247.11 o
1 3 -8 906.16 993.23 47.57 o
3 3 -8 514.13 569.65 76.98 o
0 4 -8 4359.38 4523.13 323.42 o
2 4 -8 3695.15 3817.98 117.16 o
1 5 -8 316.30 328.34 53.47 o
0 1 -7 7147.80 6179.23 209.01 o
1 2 -7 5678.47 5986.39 151.26 o
0 3 -7 4821.72 4948.87 159.10 o
2 3 -7 3980.66 3959.93 121.19 o
1 4 -7 3197.03 3495.20 96.57 o
3 4 -7 2383.81 2376.76 94.18 o
0 5 -7 2583.77 2739.69 131.81 o
2 5 -7 2210.10 2304.41 231.49 o
0 0 -6 2511.17 2326.80 192.99 o
1 1 -6 19739.12 21247.38 526.17 o
0 2 -6 1862.41 2006.70 64.98 o
2 2 -6 1421.46 1426.55 73.86 o
1 3 -6 12273.23 12748.89 255.73 o
3 3 -6 8403.28 8152.58 314.81 o
0 4 -6 898.15 956.68 58.04 o
2 4 -6 739.50 744.03 37.67 o
4 4 -6 468.92 470.25 111.10 o
1 5 -6 6113.44 6043.48 167.27 o
3 5 -6 4614.26 4392.67 206.33 o
0 6 -6 416.96 328.14 64.57 o
0 1 -5 11910.86 12401.77 357.04 o
1 2 -5 8862.10 9169.45 164.89 o
0 3 -5 7204.63 7380.90 192.16 o
2 3 -5 5798.55 5783.58 134.00 o
1 4 -5 4606.38 4612.58 102.66 o
3 4 -5 3353.67 3467.39 111.99 o
0 5 -5 3584.40 3673.48 126.47 o
2 5 -5 3050.42 3007.87 105.06 o
1 6 -5 2087.42 2265.05 89.92 o
0 0 -4 29001.16 31383.17 2161.92 o
1 1 -4 9321.12 10092.77 252.13 o
0 2 -4 20431.43 21008.19 601.06 o
2 2 -4 15575.47 15249.30 441.72 o
1 3 -4 5015.69 5306.60 122.24 o
3 3 -4 3059.66 3169.39 124.05 o
0 4 -4 9993.04 10135.37 304.11 o
2 4 -4 8214.66 8447.48 192.89 o
4 4 -4 4891.51 5385.32 209.70 o
1 5 -4 2043.64 2049.07 61.86 o
3 5 -4 1451.56 1388.43 69.91 o
0 6 -4 4222.76 4512.81 170.56 o
2 6 -4 3642.43 3845.53 151.73 o
0 1 -3 15218.83 15893.42 418.31 o
1 2 -3 10582.13 11528.56 248.92 o
0 3 -3 7926.15 8269.33 226.06 o
2 3 -3 6383.99 6645.72 142.65 o
1 4 -3 5413.64 5347.87 116.48 o
3 4 -3 3853.01 4114.20 106.89 o
0 5 -3 3733.60 3798.25 128.95 o
2 5 -3 3250.26 3126.07 95.18 o
4 5 -3 2270.70 2455.02 114.35 o
1 6 -3 2660.91 2815.77 90.05 o
0 0 -2 152.48 189.16 47.84 o
1 1 -2 42525.69 42785.29 1221.86 o
0 2 -2 113.58 117.12 14.82 o
2 2 -2 101.16 86.10 19.08 o
1 3 -2 22549.33 22876.10 457.20 o
3 3 -2 14317.52 16182.92 503.88 o
0 4 -2 96.61 49.41 23.36 o
2 4 -2 98.00 117.33 22.97 o
4 4 -2 96.05 27.59 127.32 o
1 5 -2 9758.48 10063.74 242.88 o
3 5 -2 6909.26 7496.71 246.80 o
0 6 -2 88.61 28.27 54.87 o
2 6 -2 87.08 105.88 43.03 o
0 1 -1 795.21 892.24 71.81 o
1 2 -1 565.31 663.33 19.33 o
0 3 -1 374.36 376.61 31.04 o
2 3 -1 350.59 409.26 40.37 o
1 4 -1 406.68 389.18 21.96 o
3 4 -1 314.57 356.52 40.71 o
0 5 -1 248.74 229.91 32.24 o
2 5 -1 237.59 175.28 35.89 o
4 5 -1 205.37 319.81 69.96 o
1 6 -1 315.64 367.10 40.97 o
1 1 0 7021.53 8331.38 364.81 o
0 2 0 71002.36 62028.19 1830.89 o
2 2 0 50953.53 50512.60 1164.03 o
1 3 0 3648.14 3628.11 149.67 o
3 3 0 2567.65 2787.45 151.40 o
0 4 0 30820.60 28915.30 880.91 o
2 4 0 24936.42 23651.95 569.17 o
4 4 0 14518.96 16203.14 1114.53 o
1 5 0 1971.96 1885.06 62.86 o
3 5 0 1605.54 1712.25 88.66 o
0 6 0 12484.39 12269.90 452.26 o
2 6 0 10770.18 10653.63 297.05 o
0 1 1 802.88 891.69 35.13 o
1 2 1 570.29 610.11 17.93 o
0 3 1 379.65 312.57 30.25 o
2 3 1 354.48 351.44 27.41 o
1 4 1 407.32 365.03 44.11 o
3 4 1 315.41 342.33 38.83 o
0 5 1 253.55 252.48 39.74 o
2 5 1 241.50 221.81 34.29 o
4 5 1 207.09 258.27 77.63 o
1 6 1 312.89 281.03 67.99 o
0 0 2 145.42 175.59 30.06 o
1 1 2 42401.64 45167.40 1683.05 o
0 2 2 106.77 95.97 10.56 o
2 2 2 94.36 75.86 20.79 o
1 3 2 22475.01 21702.04 595.88 o
3 3 2 14264.63 14635.38 800.97 o
0 4 2 88.97 75.43 32.15 o
2 4 2 90.25 107.55 42.53 o
4 4 2 89.03 91.32 62.64 o
1 5 2 9716.57 8367.79 218.67 o
3 5 2 6873.86 6600.50 519.38 o
0 6 2 82.09 123.56 72.06 o
2 6 2 80.94 110.62 41.36 o
0 1 3 15292.92 15798.58 534.03 o
1 2 3 10641.64 11491.56 221.54 o
0 3 3 7972.17 7483.93 267.32 o
2 3 3 6426.20 6644.46 139.02 o
1 4 3 5457.89 4927.89 134.55 o
3 4 3 3889.12 4132.52 119.85 o
0 5 3 3761.88 3301.16 142.47 o
2 5 3 3277.68 3100.00 93.42 o
4 5 3 2295.91 2343.02 148.77 o
1 6 3 2696.41 2391.16 85.50 o
0 0 4 29062.25 28956.14 1282.46 o
1 1 4 9263.90 9083.70 208.35 o
0 2 4 20475.04 20565.29 472.58 o
2 2 4 15606.31 16507.89 446.47 o
1 3 4 4969.79 5010.89 106.91 o
3 3 4 3017.65 3320.73 122.80 o
0 4 4 10008.70 8697.55 311.32 o
2 4 4 8226.19 8022.91 197.14 o
4 4 4 4897.51 5222.16 249.55 o
1 5 4 2005.45 1800.63 63.37 o
3 5 4 1417.43 1341.34 71.34 o
0 6 4 4228.25 3797.92 164.89 o
2 6 4 3647.50 3294.35 135.67 o
0 1 5 11898.50 11348.76 245.65 o
1 2 5 8855.78 8971.40 166.43 o
0 3 5 7205.87 6961.36 232.29 o
2 3 5 5802.95 5991.77 129.57 o
1 4 5 4610.10 4288.43 111.22 o
3 4 5 3360.64 3419.42 115.09 o
0 5 5 3595.74 3410.71 141.66 o
2 5 5 3061.17 2895.24 86.90 o
1 6 5 2090.90 1958.09 74.49 o
0 0 6 2443.25 2359.00 121.46 o
1 1 6 19740.20 18076.79 429.19 o
0 2 6 1804.97 1847.67 53.53 o
2 2 6 1370.36 1436.71 55.52 o
1 3 6 12272.97 11595.73 227.55 o
3 3 6 8402.35 8451.11 312.42 o
0 4 6 855.09 772.87 50.79 o
2 4 6 699.46 786.20 36.90 o
4 4 6 435.94 324.51 119.71 o
1 5 6 6112.31 5604.57 153.29 o
3 5 6 4613.01 4344.30 157.46 o
0 6 6 385.78 393.64 68.76 o
0 1 7 7177.30 6360.95 151.43 o
1 2 7 5702.42 5702.01 106.08 o
0 3 7 4840.54 4793.22 154.49 o
2 3 7 3996.98 4000.08 91.28 o
1 4 7 3213.09 3050.41 85.46 o
3 4 7 2396.48 2530.55 95.71 o
0 5 7 2593.81 2359.70 170.61 o
2 5 7 2219.70 2010.86 72.91 o
0 0 8 9617.01 8226.39 380.53 o
1 1 8 1738.21 1560.18 57.12 o
0 2 8 7675.02 7462.73 220.26 o
2 2 8 6259.71 5894.89 270.07 o
1 3 8 924.44 960.96 35.18 o
3 3 8 529.32 619.01 57.00 o
0 4 8 4364.14 4254.66 189.66 o
2 4 8 3700.42 3559.89 104.92 o
4 4 8 2385.32 2840.96 243.93 o
1 5 8 329.70 341.80 51.20 o
0 1 9 10184.15 8823.24 216.96 o
1 2 9 8474.87 7172.99 300.61 o
0 3 9 6929.69 6166.96 242.91 o
2 3 9 5949.84 5760.43 155.40 o
1 4 9 5340.13 5107.96 168.71 o
3 4 9 4010.43 4020.04 221.09 o
0 5 9 3773.39 3449.51 195.39 o
2 5 9 3369.46 3529.36 203.38 o
0 0 10 753.71 772.88 57.12 o
1 1 10 5655.30 4911.05 137.50 o
0 2 10 554.65 535.08 48.28 o
2 2 10 417.58 314.68 44.84 o
1 3 10 3896.55 4053.41 126.71 o
3 3 10 2776.71 2872.49 135.23 o
0 4 10 255.11 202.31 56.37 o
2 4 10 204.47 185.09 43.21 o
0 1 11 1766.98 1625.09 52.51 o
1 2 11 1490.45 1436.59 47.24 o
0 3 11 1355.09 1390.32 89.71 o
2 3 11 1159.32 1300.96 64.61 o
1 4 11 942.82 1040.10 81.16 o
0 0 12 11208.03 10210.44 475.70 o
1 1 12 749.15 748.24 37.12 o
0 2 12 9471.20 8809.47 287.69 o
2 2 12 8089.98 7965.76 309.69 o
1 3 12 647.18 708.78 75.18 o
0 1 13 730.95 603.68 36.83 o
1 2 13 662.21 692.04 41.49 o
0 3 13 524.10 561.23 68.32 o
0 0 14 361.30 344.11 71.99 o
1 1 14 5920.27 6001.69 182.10 o
0 2 14 331.67 269.90 51.93 o
0 1 15 741.16 712.37 78.35 o