#------------------------------------------------------------------------------
#$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/20/74/2207460.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_2207460_Fobs
loop_
_publ_author_name
'Dong, Yongkwan'
'DiSalvo, Francis J.'
_publ_section_title
;
 Reinvestigation of MnSn~2~
;
_journal_coeditor_code           BT6789
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i282
_journal_page_last               i284
_journal_volume                  61
_journal_year                    2005
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   6.6438
_cell_length_b                   6.6438
_cell_length_c                   5.4206
_exptl_crystal_F_000             500.00
_reflns_d_resolution_high        0.5614
_[local]_cod_data_source_file    bt6789Isup2.hkl
_[local]_cod_data_source_block   I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' m in I4/mcm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            284.44
_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+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_
_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 0 108.02 97.23 6.36 o
0 2 0 4325.73 4216.62 279.70 o
2 2 0 18123.03 17541.52 457.94 o
1 3 0 50577.73 53439.47 1613.73 o
3 3 0 36932.04 37656.94 1261.95 o
0 4 0 9587.73 9814.80 242.68 o
2 4 0 15244.62 15306.94 244.91 o
4 4 0 16041.76 15919.94 391.50 o
1 5 0 109.71 123.40 9.02 o
3 5 0 13959.13 13890.13 256.20 o
5 5 0 215.70 203.16 17.58 o
0 6 0 58393.46 61626.11 1477.08 o
2 6 0 1652.42 1654.75 37.57 o
4 6 0 4143.61 4121.12 85.96 o
6 6 0 29286.10 31250.36 1332.83 o
1 7 0 632.66 618.40 29.14 o
3 7 0 21132.72 19449.28 809.19 o
5 7 0 4.59 31.41 29.44 o
0 8 0 42.03 85.43 44.83 o
2 8 0 2525.31 2520.55 68.36 o
4 8 0 2424.84 2262.08 126.01 o
1 9 0 9498.03 9568.74 247.53 o
3 9 0 9150.34 8331.37 643.77 o
5 9 0 4274.88 4429.35 205.97 o
0 10 0 4350.66 4330.83 224.67 o
2 10 0 4127.81 4186.98 133.67 o
4 10 0 5809.68 5861.66 200.68 o
1 11 0 205.65 213.94 37.08 o
3 11 0 1524.15 1608.19 63.92 o
1 2 1 57960.92 59421.68 966.56 o
2 3 1 584.74 572.00 10.61 o
1 4 1 28927.58 29729.95 349.54 o
3 4 1 280.88 334.83 13.23 o
2 5 1 32318.46 31588.14 358.09 o
4 5 1 19130.15 18846.05 266.56 o
1 6 1 1034.19 1015.01 22.02 o
3 6 1 25.68 43.71 8.09 o
5 6 1 869.40 893.64 24.25 o
2 7 1 11821.52 11820.42 181.17 o
4 7 1 7811.99 7714.43 130.67 o
6 7 1 288.85 301.30 25.92 o
1 8 1 15399.21 15038.74 245.89 o
3 8 1 197.35 219.29 13.66 o
5 8 1 13638.26 14145.09 381.69 o
7 8 1 6207.36 7240.47 355.89 o
2 9 1 1229.68 1183.94 33.08 o
4 9 1 736.34 707.76 27.41 o
6 9 1 83.61 208.76 74.54 o
1 10 1 4538.29 4634.99 94.71 o
3 10 1 37.82 50.97 16.46 o
5 10 1 4165.53 4308.37 209.83 o
2 11 1 8805.29 8933.47 167.45 o
4 11 1 6071.65 6054.11 169.37 o
0 0 2 58000.61 50432.30 1926.60 o
1 1 2 25475.65 25796.77 337.71 o
0 2 2 40031.80 40889.83 966.75 o
2 2 2 131.28 128.61 7.05 o
1 3 2 5698.47 5790.15 59.77 o
3 3 2 80636.47 81707.04 1236.70 o
0 4 2 40546.50 42624.49 689.27 o
2 4 2 66.05 79.81 5.25 o
4 4 2 886.20 880.85 21.45 o
1 5 2 7407.77 7400.99 93.07 o
3 5 2 591.55 633.57 15.65 o
5 5 2 3358.39 3239.49 95.21 o
0 6 2 20189.62 20600.22 390.90 o
2 6 2 13932.92 13528.20 187.25 o
4 6 2 17265.56 17084.42 275.98 o
6 6 2 10850.58 10712.92 336.49 o
1 7 2 9142.05 9093.43 129.66 o
3 7 2 5109.88 5054.27 84.14 o
5 7 2 3690.15 3651.09 82.63 o
7 7 2 6822.34 6699.66 329.79 o
0 8 2 4837.01 5086.39 170.04 o
2 8 2 179.86 218.54 20.78 o
4 8 2 82.87 114.66 15.33 o
6 8 2 3053.45 3148.88 99.97 o
8 8 2 143.39 136.72 78.92 o
1 9 2 1442.62 1563.40 51.45 o
3 9 2 21016.65 20701.13 336.47 o
5 9 2 217.93 230.86 39.18 o
7 9 2 1915.72 2121.20 111.15 o
0 10 2 12901.43 13384.56 342.09 o
2 10 2 172.55 177.22 19.96 o
4 10 2 767.60 754.74 33.02 o
1 11 2 951.10 1002.18 46.81 o
3 11 2 28.13 34.36 25.07 o
1 2 3 36535.81 36688.15 357.65 o
2 3 3 403.69 400.40 7.46 o
1 4 3 20552.96 21029.08 238.09 o
3 4 3 208.47 231.44 8.33 o
2 5 3 24414.04 24387.81 351.52 o
4 5 3 15087.19 14996.99 219.55 o
1 6 3 805.10 810.21 20.77 o
3 6 3 20.50 33.73 9.75 o
5 6 3 720.42 722.57 24.17 o
2 7 3 9630.42 9468.28 139.96 o
4 7 3 6520.91 6331.38 110.86 o
6 7 3 247.76 258.70 27.02 o
1 8 3 12854.19 12938.08 189.38 o
3 8 3 166.82 201.24 16.48 o
5 8 3 11744.12 11732.60 338.79 o
7 8 3 5433.21 5406.29 288.17 o
2 9 3 1054.76 1095.28 31.59 o
4 9 3 638.32 653.02 28.35 o
6 9 3 73.31 91.74 38.73 o
1 10 3 3945.24 4033.59 94.91 o
3 10 3 33.04 67.48 24.24 o
5 10 3 3664.05 3607.96 118.16 o
2 11 3 7745.25 7605.51 348.19 o
0 0 4 80904.16 68486.50 2258.18 o
1 1 4 109.90 117.11 8.65 o
0 2 4 2116.32 2145.77 34.59 o
2 2 4 7851.50 7795.81 131.13 o
1 3 4 23420.63 23167.70 241.73 o
3 3 4 20278.29 20401.45 344.44 o
0 4 4 5315.22 5209.20 79.07 o
2 4 4 7982.92 7941.21 95.26 o
4 4 4 9459.67 9214.86 170.17 o
1 5 4 43.34 88.58 17.72 o
3 5 4 8350.94 8186.56 128.20 o
5 5 4 135.44 154.53 15.66 o
0 6 4 35794.58 36025.05 702.05 o
2 6 4 1091.38 1096.02 29.41 o
4 6 4 2820.96 2715.30 54.29 o
6 6 4 21125.03 20897.92 645.15 o
1 7 4 436.97 492.37 19.80 o
3 7 4 14528.73 14066.28 232.43 o
5 7 4 2.99 17.01 15.44 o
7 7 4 818.18 834.40 75.02 o
0 8 4 30.17 52.98 20.56 o
2 8 4 1801.40 1849.16 42.92 o
4 8 4 1796.27 1821.29 44.22 o
6 8 4 19.78 33.41 40.90 o
1 9 4 7037.74 6983.80 115.54 o
3 9 4 6797.21 6747.19 133.14 o
5 9 4 3309.79 3411.42 143.72 o
0 10 4 3259.83 3240.90 186.52 o
2 10 4 3188.79 3308.88 95.50 o
4 10 4 4535.54 4500.07 173.57 o
1 2 5 19614.85 19529.29 224.79 o
2 3 5 233.29 243.86 9.81 o
1 4 5 12247.11 12012.72 134.59 o
3 4 5 130.94 156.64 11.95 o
2 5 5 15687.80 15539.89 205.14 o
4 5 5 10260.58 10265.81 142.17 o
1 6 5 538.24 559.85 19.53 o
3 6 5 14.16 22.09 14.45 o
5 6 5 522.39 529.79 26.29 o
2 7 5 6832.62 6734.01 113.05 o
4 7 5 4772.61 4727.23 97.77 o
6 7 5 187.61 182.29 36.17 o
1 8 5 9407.91 9152.91 158.58 o
3 8 5 124.05 148.23 21.76 o
5 8 5 8936.42 8838.19 168.58 o
2 9 5 798.71 816.08 35.63 o
4 9 5 489.74 426.24 37.03 o
1 10 5 3037.55 3224.43 145.81 o
0 0 6 16142.79 16500.87 441.98 o
1 1 6 6551.92 6794.44 101.05 o
0 2 6 11074.38 11088.69 168.45 o
2 2 6 14.99 23.88 11.87 o
1 3 6 2099.60 2151.58 30.48 o
3 3 6 29589.78 29771.22 552.25 o
0 4 6 14311.50 14048.22 235.85 o
2 4 6 42.59 55.10 8.94 o
4 4 6 416.99 452.86 26.71 o
1 5 6 2936.74 2892.99 51.51 o
3 5 6 284.40 291.22 16.68 o
5 5 6 1687.87 1701.29 56.31 o
0 6 6 9265.71 9048.32 239.76 o
2 6 6 6478.57 6511.77 127.06 o
4 6 6 8789.45 8458.17 160.67 o
6 6 6 5953.55 6249.66 225.88 o
1 7 6 4593.85 4518.09 96.11 o
3 7 6 2658.34 2540.33 63.69 o
5 7 6 2114.98 2107.57 57.76 o
0 8 6 2646.48 2628.17 95.02 o
2 8 6 107.62 104.82 27.65 o
4 8 6 56.24 43.66 28.26 o
1 9 6 789.45 722.29 39.79 o
1 2 7 10524.61 10732.67 131.31 o
2 3 7 131.88 153.53 14.37 o
1 4 7 7080.65 6960.87 107.94 o
3 4 7 78.69 76.20 14.63 o
2 5 7 9586.24 9426.60 150.17 o
4 5 7 6529.23 6531.59 119.35 o
1 6 7 338.38 295.31 29.07 o
3 6 7 9.11 15.24 24.49 o
5 6 7 347.47 377.75 26.20 o
2 7 7 4477.55 4410.82 105.37 o
4 7 7 3194.65 3230.73 156.70 o
1 8 7 6297.38 6682.84 348.64 o
0 0 8 21429.77 20662.53 894.36 o
1 1 8 44.72 70.14 28.99 o
0 2 8 656.60 673.80 32.76 o
2 2 8 2307.39 2406.96 60.28 o
1 3 8 7171.52 7128.42 102.06 o
3 3 8 6915.63 6905.08 135.58 o
0 4 8 1790.48 1794.85 60.91 o
2 4 8 2758.93 2838.99 55.68 o
4 4 8 3670.26 3702.50 105.85 o
1 5 8 17.42 32.77 28.05 o
3 5 8 3295.06 3557.08 76.40 o
0 6 8 14208.63 14428.11 458.40 o
2 6 8 414.74 404.15 37.97 o
1 2 9 5863.35 5832.61 102.52 o
2 3 9 75.26 63.59 21.65 o
1 4 9 4082.17 4108.44 115.10 o