#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/93/2209399.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_2209399_Fobs
loop_
_publ_author_name
'Tkachuk, Andriy V.'
'Mar, Arthur'
_publ_section_title
;
 Thorium tin antimonide, ThSn~0.2~Sb~1.8~
;
_journal_coeditor_code           BR2010
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i158
_journal_page_last               i159
_journal_volume                  62
_journal_year                    2006
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.3501
_cell_length_b                   4.3501
_cell_length_c                   9.2129
_exptl_crystal_F_000             383.60
_reflns_d_resolution_high        0.6516
_[local]_cod_data_source_file    br2010Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' ThSn0.2Sb1.8 P4/nmm LSF final refinement'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            275.25
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-y+1/2, x, z'
'y, -x+1/2, z'
'-x, y+1/2, -z'
'x+1/2, -y, -z'
'y+1/2, x+1/2, -z'
'-y, -x, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'y-1/2, -x, -z'
'-y, x-1/2, -z'
'x, -y-1/2, z'
'-x-1/2, y, z'
'-y-1/2, -x-1/2, z'
'y, x, z'
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 19829.48 18771.26 449.36 o
0 2 0 75761.10 71073.67 2009.04 o
2 2 0 54333.35 49273.55 912.55 o
1 3 0 10771.70 10459.39 122.79 o
3 3 0 7189.84 6910.89 113.74 o
0 4 0 32929.04 31262.57 565.40 o
2 4 0 26698.66 24097.76 288.42 o
4 4 0 15583.63 14911.04 332.57 o
1 5 0 5117.17 5092.34 87.11 o
3 5 0 3769.30 3776.51 73.20 o
0 6 0 13305.02 13372.28 308.41 o
2 6 0 11447.38 11498.18 190.30 o
0 0 1 42.59 42.11 5.24 o
0 1 1 6692.14 6980.61 181.60 o
1 1 1 25485.42 24970.62 288.34 o
0 2 1 16.29 42.74 4.76 o
1 2 1 4768.56 4788.09 37.34 o
2 2 1 8.25 40.97 3.58 o
0 3 1 3764.20 3796.35 46.27 o
1 3 1 12379.45 11706.13 94.28 o
2 3 1 3111.64 3044.05 25.67 o
3 3 1 7502.80 7112.71 82.56 o
0 4 1 3.07 65.16 6.85 o
1 4 1 2628.24 2636.74 28.44 o
2 4 1 2.50 47.02 6.09 o
3 4 1 1921.70 1927.73 22.98 o
4 4 1 2.46 33.41 6.39 o
0 5 1 1921.70 1929.90 37.66 o
1 5 1 4988.28 5013.63 58.97 o
2 5 1 1653.31 1677.52 22.14 o
3 5 1 3522.71 3579.73 43.42 o
4 5 1 1074.19 1168.78 28.44 o
0 6 1 2.52 65.45 9.42 o
1 6 1 1235.97 1300.22 21.48 o
2 6 1 2.56 59.01 7.62 o
0 0 2 3529.72 3928.45 158.72 o
0 1 2 1741.28 1958.45 26.53 o
1 1 2 44500.69 47683.54 884.57 o
0 2 2 2626.83 2684.30 36.11 o
1 2 2 1060.07 1065.55 11.45 o
2 2 2 2154.55 2149.70 37.61 o
0 3 2 733.76 756.17 12.95 o
1 3 2 23683.98 22719.00 184.46 o
2 3 2 532.80 547.28 6.78 o
3 3 2 15167.67 14307.58 182.98 o
0 4 2 1607.22 1677.88 27.05 o
1 4 2 401.24 431.34 7.12 o
2 4 2 1406.99 1402.71 17.78 o
3 4 2 251.01 273.03 6.39 o
4 4 2 946.00 982.20 36.04 o
0 5 2 251.01 269.90 9.34 o
1 5 2 10444.97 10141.96 104.73 o
2 5 2 206.99 243.30 8.37 o
3 5 2 7515.61 7514.57 99.34 o
4 5 2 129.95 171.50 12.22 o
0 6 2 830.29 907.29 23.97 o
1 6 2 149.57 180.47 7.36 o
2 6 2 730.33 792.01 15.79 o
0 0 3 43856.81 56504.61 1242.61 o
0 1 3 28548.05 32802.96 637.60 o
1 1 3 1557.92 1693.57 24.70 o
0 2 3 29106.72 29167.44 409.10 o
1 2 3 20275.78 20097.35 190.72 o
2 2 3 21481.24 21412.84 223.43 o
0 3 3 15561.93 14910.51 195.78 o
1 3 3 988.00 1021.55 12.24 o
2 3 3 12416.30 12065.65 103.83 o
3 3 3 712.08 748.35 19.68 o
0 4 3 13211.73 12540.71 166.03 o
1 4 3 10141.31 9718.16 90.39 o
2 4 3 10738.18 10494.63 99.57 o
3 4 3 7075.82 6850.08 77.86 o
4 4 3 6304.01 6414.42 116.20 o
0 5 3 7075.84 6921.41 95.81 o
1 5 3 532.19 570.45 10.72 o
2 5 3 6007.05 5995.85 65.89 o
3 5 3 405.88 455.42 12.64 o
4 5 3 3845.05 4061.27 83.00 o
0 6 3 5392.22 5476.11 97.27 o
1 6 3 4433.40 4479.11 55.89 o
2 6 3 4647.31 4721.66 64.79 o
0 0 4 11286.99 12306.48 276.32 o
0 1 4 3886.90 3973.11 49.46 o
1 1 4 1673.54 1714.92 30.28 o
0 2 4 8214.86 8278.23 102.06 o
1 2 4 2936.29 2974.94 27.06 o
2 2 4 6396.01 6406.29 72.96 o
0 3 4 2344.22 2310.02 36.72 o
1 3 4 725.90 727.48 10.17 o
2 3 4 1926.04 1941.88 22.14 o
3 3 4 376.60 427.20 12.98 o
0 4 4 4240.33 4022.65 65.43 o
1 4 4 1608.45 1567.86 19.10 o
2 4 4 3533.23 3530.81 37.42 o
3 4 4 1155.01 1133.30 18.34 o
4 4 4 2151.71 2258.25 49.76 o
0 5 4 1155.01 1169.87 25.29 o
1 5 4 233.89 254.41 6.96 o
2 5 4 989.20 1024.93 17.14 o
3 5 4 166.48 182.12 7.63 o
4 5 4 641.83 761.62 53.57 o
0 6 4 1847.37 1889.32 40.99 o
1 6 4 737.80 798.50 15.60 o
2 6 4 1594.16 1779.23 44.52 o
0 0 5 801.95 811.72 24.10 o
0 1 5 18181.88 19371.05 203.95 o
1 1 5 10373.91 10713.18 127.33 o
0 2 5 503.58 507.31 10.50 o
1 2 5 13802.34 14000.18 121.15 o
2 2 5 332.11 334.56 8.53 o
0 3 5 10923.85 10520.36 140.51 o
1 3 5 6364.04 6318.37 61.83 o
2 3 5 8867.16 8502.17 86.56 o
3 3 5 4293.43 4089.66 74.05 o
0 4 5 167.14 183.94 11.80 o
1 4 5 7326.31 7087.16 69.53 o
2 4 5 128.54 151.51 7.64 o
3 4 5 5196.02 5033.62 66.46 o
4 4 5 75.10 100.65 10.23 o
0 5 5 5196.02 5224.98 84.42 o
1 5 5 3039.77 3064.46 35.72 o
2 5 5 4440.14 4476.32 54.25 o
3 5 5 2222.31 2321.01 38.45 o
0 6 5 66.21 95.56 7.49 o
1 6 5 3313.02 3449.88 57.33 o
0 0 6 105.25 132.60 7.77 o
0 1 6 19943.94 21152.51 236.51 o
1 1 6 11663.07 12536.52 150.05 o
0 2 6 68.37 91.77 7.54 o
1 2 6 15556.23 15762.08 135.83 o
2 2 6 49.82 83.06 7.54 o
0 3 6 12506.26 12202.44 161.59 o
1 3 6 7325.65 7261.60 71.12 o
2 3 6 10260.05 9820.23 102.17 o
3 3 6 4983.35 4735.82 90.89 o
0 4 6 36.11 65.12 10.53 o
1 4 6 8545.90 8379.07 81.88 o
2 4 6 33.39 54.22 4.78 o
3 4 6 6134.43 6110.76 77.17 o
4 4 6 28.09 40.10 9.45 o
0 5 6 6134.44 6057.65 92.77 o
1 5 6 3554.67 3524.88 41.66 o
2 5 6 5266.50 5191.85 71.53 o
3 5 6 2618.67 2743.80 48.27 o
0 6 6 26.56 88.62 32.95 o
0 0 7 9091.18 9287.71 250.69 o
0 1 7 311.54 330.60 8.04 o
1 1 7 266.90 271.62 10.96 o
0 2 7 7271.75 7105.87 93.46 o
1 2 7 273.55 300.41 8.55 o
2 2 7 5947.99 5944.51 103.29 o
0 3 7 240.88 233.42 8.31 o
1 3 7 135.42 156.13 7.24 o
2 3 7 211.55 240.18 9.00 o
3 3 7 90.60 126.79 11.79 o
0 4 7 4143.26 4059.32 61.36 o
1 4 7 185.20 219.72 8.27 o
2 4 7 3507.32 3439.03 45.46 o
3 4 7 141.30 175.53 8.79 o
4 4 7 2214.20 2507.24 80.22 o
0 5 7 141.30 153.59 10.09 o
1 5 7 71.46 84.67 5.33 o
2 5 7 123.49 169.40 11.57 o
0 0 8 16096.66 16313.80 362.24 o
0 1 8 8787.15 8916.62 109.48 o
1 1 8 759.12 741.40 16.36 o
0 2 8 12786.59 12464.79 174.34 o
1 2 8 7231.18 7210.15 72.93 o
2 2 8 10378.93 9750.99 169.37 o
0 3 8 6037.25 5745.21 81.39 o
1 3 8 550.01 563.11 10.92 o
2 3 8 5095.39 4988.88 67.22 o
3 3 8 412.41 396.32 19.73 o
0 4 8 7180.15 6844.98 97.28 o
1 4 8 4338.35 4171.27 47.88 o
2 4 8 6084.62 5831.69 73.79 o
3 4 8 3212.04 3197.46 50.27 o
0 5 8 3212.04 3255.53 55.53 o
1 5 8 316.81 318.33 9.39 o
2 5 8 2787.85 3061.65 81.56 o
0 0 9 3317.42 3506.08 83.15 o
0 1 9 485.11 510.27 10.30 o
1 1 9 18853.72 19369.38 250.37 o
0 2 9 2830.28 2737.98 43.75 o
1 2 9 386.73 389.71 9.30 o
2 2 9 2430.75 2395.01 50.21 o
0 3 9 315.97 325.73 10.63 o
1 3 9 13043.15 12680.84 144.16 o
2 3 9 263.54 266.19 10.48 o
3 3 9 9425.74 9187.60 163.10 o
0 4 9 1819.89 1765.35 31.75 o
1 4 9 223.54 225.38 7.52 o
2 4 9 1585.21 1543.96 27.43 o
3 4 9 166.88 168.17 19.09 o
0 5 9 166.88 210.03 22.06 o
1 5 9 7018.62 7204.34 192.63 o
0 0 10 590.17 643.22 23.91 o
0 1 10 1331.09 1387.44 21.17 o
1 1 10 2570.58 2510.03 38.69 o
0 2 10 477.15 510.99 13.86 o
1 2 10 1153.47 1157.22 17.21 o
2 2 10 392.33 421.28 14.57 o
0 3 10 1000.31 1031.86 23.63 o
1 3 10 1779.03 1694.10 25.17 o
2 3 10 868.73 893.00 17.91 o
3 3 10 1289.82 1339.37 34.69 o
0 4 10 275.70 293.34 11.61 o
1 4 10 756.06 745.20 15.10 o
2 4 10 234.47 253.80 11.66 o
0 0 11 17094.51 17238.00 547.08 o
0 1 11 53.92 75.01 6.23 o
1 1 11 3573.39 3440.26 59.47 o
0 2 11 14420.25 13945.20 224.07 o
1 2 11 45.08 57.36 3.91 o
2 2 11 12283.12 11749.99 190.79 o
0 3 11 38.35 52.23 8.75 o
1 3 11 2666.32 2532.07 36.16 o
2 3 11 33.07 46.11 4.44 o
0 4 11 9117.52 9136.19 269.61 o
1 4 11 28.83 64.86 15.47 o
0 0 12 181.17 359.38 20.56 o
0 1 12 2062.52 2160.22 42.31 o
1 1 12 5131.92 5113.43 91.67 o
0 2 12 159.85 151.77 7.98 o
1 2 12 1779.76 1787.70 26.37 o
2 2 12 141.68 145.72 8.69 o
0 3 12 1543.01 1503.22 34.17 o
1 3 12 3778.95 3673.62 49.85 o
0 0 13 161.46 180.04 20.50 o
0 1 13 25.77 27.84 5.33 o
1 1 13 3940.27 4050.37 98.36 o
0 2 13 146.71 180.79 10.77 o
1 2 13 23.24 33.37 4.70 o