#------------------------------------------------------------------------------
#$Date: 2023-08-16 04:49:24 +0300 (Wed, 16 Aug 2023) $
#$Revision: 285784 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/22/2312276.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_2312276
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.5798
_cell_length_b                   5.5798
_cell_length_c                   10.8597
_exptl_crystal_F_000             504.00
_reflns_d_resolution_high        0.7757
_cod_data_source_file            vx3001Cu2HgSnS4sup3.hkl
_cod_data_source_block           Cu2HgSnS4
_shelx_title
' JCK_MT58_1_Cu2HgSnS4_11162022__f.res in I-42m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            338.73
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_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
1 1 0 15654.09 15863.93 332.89 o
0 2 0 45397.00 41288.96 1000.31 o
2 2 0 114736.52 111985.91 2335.16 o
1 3 0 9590.12 9969.77 159.28 o
3 3 0 7424.45 7618.16 187.55 o
0 4 0 72255.78 65331.19 1455.41 o
2 4 0 18390.54 18792.97 307.79 o
4 4 0 36091.70 37903.52 866.40 o
1 5 0 5601.18 5602.15 123.12 o
3 5 0 4029.93 4085.11 89.74 o
5 5 0 3172.39 3101.55 142.64 o
0 6 0 8882.71 8722.96 298.12 o
2 6 0 26897.24 26247.77 575.91 o
1 7 0 2753.89 2735.39 109.43 o
0 1 1 2701.15 2638.06 37.58 o
-1 2 1 2896.23 2855.49 49.68 o
1 2 1 2441.87 2383.00 46.18 o
-2 3 1 719.06 720.30 21.85 o
0 3 1 2435.49 2387.80 40.25 o
2 3 1 1023.65 975.80 21.90 o
-3 4 1 1202.31 1094.51 82.17 o
-1 4 1 723.34 702.69 22.36 o
3 4 1 789.81 757.78 25.66 o
-2 5 1 1035.21 1077.22 33.13 o
0 5 1 259.80 269.63 20.86 o
2 5 1 854.43 871.06 29.15 o
4 5 1 278.31 282.53 22.81 o
-3 6 1 40.77 42.91 17.13 o
-1 6 1 703.67 705.59 40.09 o
1 6 1 261.72 267.58 35.50 o
3 6 1 391.17 353.41 31.52 o
0 7 1 399.50 424.41 38.98 o
0 0 2 12794.59 13157.28 347.12 o
-1 1 2 104898.87 102218.47 3130.13 o
1 1 2 113551.20 111322.05 2582.49 o
-2 2 2 8117.16 8227.37 208.79 o
0 2 2 15502.64 16009.60 213.18 o
2 2 2 8169.90 8046.36 169.08 o
-3 3 2 38446.73 39024.77 1100.65 o
-1 3 2 64802.30 65491.93 926.49 o
1 3 2 59409.24 58956.44 903.40 o
3 3 2 42524.66 43477.26 947.13 o
-4 4 2 3606.58 3642.26 131.18 o
-2 4 2 7732.58 8079.43 145.27 o
0 4 2 5988.96 6174.70 106.73 o
2 4 2 7663.18 7805.43 149.31 o
4 4 2 3707.10 3649.34 107.32 o
-5 5 2 10821.03 11100.08 330.07 o
-3 5 2 22049.01 22281.70 416.84 o
-1 5 2 26677.38 26543.99 568.06 o
1 5 2 29917.56 30165.26 554.82 o
3 5 2 19440.75 19741.99 370.87 o
5 5 2 12525.03 11937.74 385.06 o
-2 6 2 2923.10 2907.05 88.95 o
0 6 2 4726.13 4737.62 129.46 o
2 6 2 2984.50 2894.66 87.73 o
-1 7 2 12689.40 12158.87 300.31 o
1 7 2 10986.52 10726.66 292.84 o
0 1 3 3148.88 3095.39 48.58 o
-1 2 3 1730.36 1659.01 34.43 o
1 2 3 1472.10 1387.03 27.89 o
-2 3 3 1727.33 1718.68 40.67 o
0 3 3 777.28 758.83 16.80 o
2 3 3 1909.79 1836.12 34.23 o
-3 4 3 425.96 457.56 27.98 o
-1 4 3 909.91 906.25 32.97 o
1 4 3 1231.27 1266.08 29.25 o
3 4 3 174.66 188.11 23.00 o
-4 5 3 464.40 486.35 31.95 o
-2 5 3 187.95 190.27 20.09 o
0 5 3 1232.52 1275.43 42.20 o
2 5 3 77.20 75.37 9.97 o
4 5 3 622.46 587.00 29.77 o
-3 6 3 222.12 233.65 23.49 o
-1 6 3 389.09 402.77 29.83 o
1 6 3 119.37 141.73 24.36 o
3 6 3 436.67 416.63 38.33 o
0 7 3 87.09 82.71 23.21 o
0 0 4 45396.44 43109.69 1141.54 o
-1 1 4 12828.83 13148.67 243.40 o
1 1 4 11508.03 11758.58 211.93 o
-2 2 4 28368.92 29649.43 726.42 o
0 2 4 110271.67 108086.30 1703.97 o
2 2 4 28338.84 29488.88 584.18 o
-3 3 4 6479.69 6596.16 179.08 o
-1 3 4 8108.29 8348.87 149.46 o
1 3 4 9018.86 9109.25 138.11 o
3 3 4 5779.84 5899.08 154.20 o
-4 4 4 8943.18 9281.37 256.68 o
-2 4 4 48217.59 49777.12 859.27 o
0 4 4 18387.35 19030.55 352.56 o
2 4 4 48259.22 49514.43 786.92 o
4 4 4 8882.22 8792.77 243.08 o
-3 5 4 3981.16 3982.14 98.37 o
-1 5 4 5136.80 5214.78 130.18 o
1 5 4 4582.88 4709.07 117.67 o
3 5 4 4423.65 4305.35 109.00 o
-2 6 4 6612.33 6567.77 170.40 o
0 6 4 26062.68 26011.28 574.08 o
2 6 4 6575.01 6416.00 162.69 o
0 1 5 1936.79 1900.98 31.47 o
-1 2 5 1127.91 1098.54 23.38 o
1 2 5 1528.50 1473.57 25.50 o
-2 3 5 1196.25 1185.28 34.96 o
0 3 5 830.36 850.54 21.42 o
2 3 5 896.99 852.67 23.18 o
-3 4 5 200.21 187.36 18.34 o
-1 4 5 1097.73 1115.68 42.99 o
1 4 5 564.31 556.75 34.29 o
-4 5 5 420.78 437.87 30.63 o
-2 5 5 120.19 160.67 21.10 o
0 5 5 571.97 593.24 28.13 o
2 5 5 304.33 294.25 21.01 o
4 5 5 157.92 189.77 27.93 o
-3 6 5 464.29 506.27 45.89 o
-1 6 5 122.08 156.49 75.30 o
1 6 5 573.63 561.67 40.37 o
0 0 6 16892.27 17052.90 459.67 o
-1 1 6 61059.16 61231.46 1203.79 o
1 1 6 56209.32 54033.77 953.73 o
-2 2 6 11973.89 12451.85 320.74 o
0 2 6 4091.44 4192.10 66.67 o
2 2 6 11942.22 12266.96 288.70 o
-3 3 6 28733.17 30455.98 714.37 o
-1 3 6 36563.03 37787.45 621.83 o
1 3 6 40253.46 40741.30 655.40 o
3 3 6 25792.23 26503.91 595.85 o
-4 4 6 5662.78 5665.38 174.25 o
-2 4 6 2491.01 2500.34 62.59 o
0 4 6 9061.84 9242.37 182.27 o
2 4 6 2536.36 2497.76 66.38 o
4 4 6 5596.13 5496.67 195.23 o
-3 5 6 13488.34 13355.04 291.60 o
-1 5 6 20951.74 21495.10 459.33 o
1 5 6 18580.47 19372.97 449.38 o
3 5 6 15406.81 15026.13 323.86 o
-2 6 6 4550.27 4372.94 127.70 o
0 6 6 1693.02 1616.77 64.46 o
2 6 6 4509.40 4423.27 128.58 o
0 1 7 872.10 864.01 18.63 o
-1 2 7 1024.20 1030.11 25.36 o
1 2 7 1078.99 1013.91 22.00 o
-2 3 7 246.96 257.67 18.45 o
0 3 7 1220.82 1185.27 29.24 o
2 3 7 203.58 197.67 13.69 o
-3 4 7 468.57 506.03 29.83 o
-1 4 7 349.83 377.02 18.28 o
1 4 7 272.77 284.10 22.24 o
3 4 7 530.70 508.16 27.58 o
-2 5 7 585.20 646.97 34.57 o
0 5 7 78.62 83.15 14.12 o
2 5 7 613.36 599.60 29.95 o
-1 6 7 117.44 140.41 19.80 o
1 6 7 184.30 190.98 21.70 o
0 0 8 62540.71 59212.62 1563.93 o
-1 1 8 7038.50 7152.89 158.09 o
1 1 8 8546.91 8629.32 170.85 o
-2 2 8 43456.63 45389.70 956.92 o
0 2 8 18452.24 18804.23 288.81 o
2 2 8 43493.89 44921.25 1098.72 o
-3 3 8 4335.81 4518.29 148.29 o
-1 3 8 6500.60 6775.06 110.40 o
1 3 8 5314.34 5339.29 116.30 o
3 3 8 5282.19 5068.77 152.94 o
-4 4 8 18021.75 18039.31 477.87 o
-2 4 8 9075.49 9135.79 188.60 o
0 4 8 31591.69 32274.33 589.27 o
2 4 8 9020.79 9076.81 190.35 o
4 4 8 18102.53 17776.53 651.27 o
-3 5 8 3232.55 3136.14 85.52 o
-1 5 8 3432.88 3456.20 114.42 o
1 5 8 4191.16 4082.70 114.84 o
3 5 8 2623.27 2450.71 80.97 o
0 1 9 589.87 584.14 16.78 o
-1 2 9 624.40 612.18 34.69 o
1 2 9 367.12 365.15 16.56 o
-2 3 9 208.45 223.68 19.33 o
0 3 9 351.99 370.63 19.58 o
2 3 9 411.44 371.08 20.92 o
-3 4 9 358.05 385.40 28.57 o
-1 4 9 143.24 144.09 14.46 o
1 4 9 508.36 418.62 95.16 o
-2 5 9 178.79 212.69 24.01 o
0 5 9 128.99 142.47 19.74 o
2 5 9 51.11 76.62 31.23 o
0 0 10 1467.99 1473.77 70.06 o
-1 1 10 23178.56 23003.46 519.48 o
1 1 10 25536.13 25162.51 525.36 o
-2 2 10 1200.09 1218.70 50.55 o
0 2 10 9972.46 10176.89 178.40 o
2 2 10 1212.18 1234.68 59.10 o
-3 3 10 12402.64 12630.27 352.90 o
-1 3 10 18901.20 19440.93 324.57 o
1 3 10 16992.35 17175.25 342.65 o
3 3 10 13952.62 13294.74 372.84 o
-2 4 10 6269.18 6323.28 141.91 o
0 4 10 1015.65 987.62 35.95 o
2 4 10 6251.29 6096.59 156.49 o
0 1 11 355.93 369.68 18.32 o
-1 2 11 137.22 158.76 16.68 o
1 2 11 172.85 180.18 14.81 o
-2 3 11 302.32 324.97 22.50 o
0 3 11 71.33 76.23 11.69 o
2 3 11 274.81 286.39 22.00 o
-1 4 11 155.88 170.58 17.75 o
1 4 11 105.67 92.44 16.41 o
0 0 12 9392.47 9398.22 370.93 o
-1 1 12 5105.82 4936.66 153.30 o
1 1 12 3934.39 3861.65 122.06 o
-2 2 12 7023.53 6978.44 204.94 o
0 2 12 19842.98 19808.60 379.74 o
2 2 12 6995.81 6700.51 177.34 o
-1 3 12 3179.16 3151.34 86.67 o
1 3 12 4121.62 3983.60 98.59 o
0 1 13 90.36 97.58 14.94 o
-1 2 13 44.77 48.38 13.05 o
1 2 13 166.29 169.28 18.17 o
0 0 14 6538.11 6717.71 566.95 o