#------------------------------------------------------------------------------
#$Date: 2020-09-12 08:02:23 +0300 (Sat, 12 Sep 2020) $
#$Revision: 256383 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/35/2243590.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_2243590
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   7.1512
_cell_length_b                   7.1512
_cell_length_c                   6.3639
_exptl_crystal_F_000             608.00
_reflns_d_resolution_high        0.5027
_cod_data_source_file            pk2648Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' Tl3IO in P63/mmc (no. 194) at 100 K;'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            490.32
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-y, -x, -z+1/2'
'-x+y, y, -z+1/2'
'x, x-y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'y, x, z-1/2'
'x-y, -y, z-1/2'
'-x, -x+y, 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 0 3665.12 3213.40 89.38 o
-1 2 0 1485.20 1633.59 28.79 o
0 2 0 56847.73 50848.69 684.53 o
0 3 0 1611.88 1758.75 53.61 o
-2 4 0 185076.28 190698.50 2274.10 o
-1 4 0 1899.29 1857.38 22.84 o
0 4 0 36206.64 34994.22 399.88 o
-2 5 0 6737.76 6545.28 61.22 o
-1 5 0 1123.08 1117.43 18.45 o
0 5 0 1374.03 1478.47 34.70 o
-3 6 0 765.26 791.25 25.11 o
-2 6 0 26385.29 26432.10 224.13 o
-1 6 0 21.30 22.12 9.29 o
0 6 0 95910.83 101018.08 1186.70 o
-3 7 0 1175.71 1203.05 30.22 o
-2 7 0 1144.62 1226.49 23.84 o
-1 7 0 3625.06 3732.23 44.25 o
0 7 0 8316.38 8388.34 118.42 o
-4 8 0 75256.42 78766.34 1141.03 o
-3 8 0 609.59 634.83 20.98 o
-2 8 0 16189.83 16718.21 158.90 o
-1 8 0 408.59 401.25 18.88 o
0 8 0 13230.52 13580.00 192.67 o
-4 9 0 6731.19 6760.60 87.65 o
-3 9 0 626.32 648.98 23.06 o
-2 9 0 2568.33 2605.09 48.14 o
-1 9 0 834.82 897.22 29.53 o
0 9 0 887.49 877.46 50.00 o
-5 10 0 191.18 171.27 34.07 o
-4 10 0 10961.04 11045.54 130.75 o
-3 10 0 48.08 51.02 23.30 o
-2 10 0 41818.16 42877.62 441.15 o
-1 10 0 1520.76 1482.34 39.56 o
0 10 0 7754.07 7942.02 156.96 o
-5 11 0 2047.21 2091.86 55.43 o
-4 11 0 670.64 710.38 38.97 o
-3 11 0 3838.48 3863.07 76.29 o
-2 11 0 7263.27 7217.28 115.26 o
-1 11 0 165.19 183.42 36.94 o
0 11 0 2855.06 2819.38 107.41 o
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-4 12 0 6603.45 6789.47 125.16 o
-3 12 0 66.93 41.27 40.42 o
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0 12 0 18946.63 17193.24 462.88 o
-6 13 0 5268.87 5091.52 148.75 o
-5 13 0 273.81 239.60 50.81 o
-4 13 0 2592.87 2496.63 87.96 o
-3 13 0 1423.58 1417.72 78.28 o
-2 13 0 522.67 594.85 63.40 o
-7 14 0 41.83 32.68 64.56 o
-6 14 0 4198.49 4205.52 115.73 o
-5 14 0 84.24 53.98 48.56 o
0 1 1 1225.26 1239.52 15.15 o
0 2 1 178954.06 175780.69 1498.51 o
-1 3 1 3629.39 3426.39 27.69 o
0 3 1 2923.72 2832.05 39.95 o
-1 4 1 773.36 772.17 10.66 o
0 4 1 113366.12 111746.28 934.74 o
-2 5 1 74.87 100.78 5.88 o
-1 5 1 2049.16 2053.43 18.63 o
0 5 1 5137.02 4947.92 49.71 o
-2 6 1 82043.61 83510.48 486.76 o
-1 6 1 1620.85 1605.84 18.13 o
0 6 1 0.00 116.50 15.77 o
-3 7 1 3784.30 3824.81 33.18 o
-2 7 1 5568.17 5635.89 43.43 o
-1 7 1 39.31 76.33 8.64 o
0 7 1 118.72 138.78 14.34 o
-3 8 1 219.10 230.97 11.94 o
-2 8 1 50207.39 51945.71 334.98 o
-1 8 1 1034.79 1098.32 18.25 o
0 8 1 40942.26 42114.02 398.34 o
-4 9 1 130.73 123.25 14.03 o
-3 9 1 3787.89 3909.43 40.77 o
-2 9 1 4629.69 4683.63 45.55 o
-1 9 1 1779.00 1846.58 30.88 o
0 9 1 6668.25 6870.06 87.07 o
-4 10 1 33953.38 34881.84 279.50 o
-3 10 1 491.76 488.47 19.21 o
-2 10 1 0.00 91.70 18.12 o
-1 10 1 55.97 63.31 19.60 o
0 10 1 24102.51 23958.07 283.40 o
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-4 11 1 5737.77 5759.58 70.05 o
-3 11 1 180.50 162.59 23.27 o
-2 11 1 269.31 257.82 24.13 o
-1 11 1 2062.33 2088.65 40.24 o
0 11 1 3893.29 3927.71 92.37 o
-5 12 1 31.73 22.10 24.44 o
-4 12 1 20521.50 20324.10 191.99 o
-3 12 1 481.30 511.39 30.99 o
-2 12 1 17558.53 17287.79 203.03 o
-1 12 1 523.88 467.22 38.05 o
0 12 1 0.00 57.26 50.71 o
-6 13 1 300.90 344.96 34.66 o
-5 13 1 3792.38 3873.76 90.77 o
-4 13 1 3245.47 3280.06 69.14 o
-3 13 1 1328.87 1344.95 53.46 o
-2 13 1 5557.62 5205.07 102.05 o
-6 14 1 13048.83 12206.92 183.80 o
0 0 2 240410.00 263379.97 8120.39 o
0 1 2 967.02 965.44 11.87 o
-1 2 2 3422.37 3469.90 33.81 o
0 2 2 56679.55 54332.23 478.81 o
-1 3 2 304.22 351.66 6.96 o
0 3 2 2945.76 2785.96 31.14 o
-2 4 2 150285.09 150008.08 1281.90 o
-1 4 2 738.25 729.62 11.40 o
0 4 2 36945.08 35134.71 303.00 o
-2 5 2 4380.67 4233.80 32.01 o
-1 5 2 1812.71 1806.29 17.85 o
0 5 2 2049.73 1997.12 32.69 o
-3 6 2 1260.37 1240.59 23.04 o
-2 6 2 26950.74 26774.54 174.66 o
-1 6 2 166.16 170.27 9.19 o
0 6 2 83331.59 85282.68 748.20 o
-3 7 2 1654.44 1644.46 20.69 o
-2 7 2 1588.66 1587.53 20.32 o
-1 7 2 2610.55 2616.92 27.80 o
0 7 2 6657.08 6669.31 76.19 o
-4 8 2 66311.19 68923.75 654.74 o
-3 8 2 315.62 337.83 13.56 o
-2 8 2 16634.06 16956.73 120.55 o
-1 8 2 621.68 650.70 16.42 o
0 8 2 13633.54 13773.78 149.21 o
-4 9 2 5449.78 5574.85 53.53 o
-3 9 2 865.34 843.18 20.39 o
-2 9 2 2961.35 3016.15 39.66 o
-1 9 2 1097.29 1144.43 24.19 o
0 9 2 1112.42 1154.27 37.10 o
-5 10 2 305.74 334.24 27.58 o
-4 10 2 11326.57 11687.30 98.05 o
-3 10 2 136.21 168.05 18.44 o
-2 10 2 37530.41 38293.39 309.86 o
-1 10 2 1130.07 1142.14 30.59 o
0 10 2 8052.98 7801.20 128.67 o
-5 11 2 2341.75 2400.16 44.73 o
-4 11 2 848.56 905.77 28.33 o
-3 11 2 3142.83 3174.24 52.49 o
-2 11 2 6216.86 6122.05 73.79 o
-1 11 2 239.84 263.98 27.22 o
0 11 2 3100.06 3057.76 92.63 o
-6 12 2 27004.72 27165.93 414.68 o
-5 12 2 74.85 87.68 25.15 o
-4 12 2 6872.93 6928.00 86.30 o
-3 12 2 98.92 106.76 29.55 o
-2 12 2 5905.95 5825.82 91.82 o
-1 12 2 738.55 758.12 42.53 o
0 12 2 17155.55 16301.28 280.65 o
-6 13 2 4520.62 4518.74 77.59 o
-5 13 2 360.27 369.13 37.31 o
-4 13 2 2810.94 2781.34 61.30 o
-3 13 2 1606.73 1547.36 50.71 o
-2 13 2 625.80 625.28 44.50 o
-7 14 2 30.30 53.62 52.69 o
-6 14 2 4393.80 4345.85 107.04 o
0 1 3 1039.23 1090.74 15.27 o
0 2 3 129130.73 129863.23 1095.03 o
-1 3 3 2873.64 2721.66 20.80 o
0 3 3 2248.77 2163.66 25.65 o
-1 4 3 646.69 623.55 9.54 o
0 4 3 90452.95 88282.31 790.64 o
-2 5 3 71.06 65.48 6.94 o
-1 5 3 1673.84 1644.81 20.44 o
0 5 3 4321.47 4205.71 50.06 o
-2 6 3 68213.38 68357.78 447.14 o
-1 6 3 1403.02 1361.23 19.07 o
0 6 3 0.00 64.14 16.44 o
-3 7 3 3278.55 3255.86 33.45 o
-2 7 3 4758.06 4794.32 43.59 o
-1 7 3 36.92 30.55 11.90 o
0 7 3 98.93 111.88 18.48 o
-3 8 3 201.22 201.66 14.11 o
-2 8 3 43518.94 44735.25 316.64 o
-1 8 3 904.04 897.46 20.75 o
0 8 3 35884.73 36413.45 362.10 o
-4 9 3 112.01 112.47 16.21 o
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0 9 3 5911.82 5750.98 95.09 o
-4 10 3 29995.00 31270.58 244.23 o
-3 10 3 441.06 471.09 23.74 o
-2 10 3 0.00 123.54 22.58 o
-1 10 3 51.19 60.85 22.61 o
0 10 3 21518.26 21350.90 275.83 o
-5 11 3 2705.14 2693.35 50.42 o
-4 11 3 5110.44 5179.56 78.12 o
-3 11 3 162.46 176.01 25.49 o
-2 11 3 242.55 237.71 26.91 o
-1 11 3 1846.84 1873.47 42.91 o
0 11 3 3492.51 3540.56 110.73 o
-5 12 3 29.91 38.88 27.69 o
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-2 12 3 15786.73 15331.60 173.64 o
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-5 13 3 3411.21 3392.64 79.89 o
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-3 13 3 1196.52 1224.73 49.64 o
0 0 4 161793.75 174708.83 4661.34 o
0 1 4 1781.64 1788.81 23.36 o
-1 2 4 1231.05 1294.64 20.59 o
0 2 4 32187.43 31574.98 298.43 o
-1 3 4 7.51 15.35 5.09 o
0 3 4 1228.57 1222.33 20.55 o
-2 4 4 114975.26 112721.74 966.77 o
-1 4 4 1162.67 1120.77 13.85 o
0 4 4 23875.83 23376.11 220.05 o
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0 5 4 958.69 937.30 23.24 o
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0 1 5 718.20 770.45 15.74 o
0 2 5 81362.33 81625.66 763.86 o
-1 3 5 1970.86 1954.77 20.86 o
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-1 8 9 317.38 252.54 61.40 o
0 8 9 12875.14 13450.01 338.55 o
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-2 9 9 1494.95 1499.04 87.29 o
-1 9 9 587.82 525.19 62.68 o
0 0 10 29274.84 27917.77 1591.29 o
0 1 10 227.99 301.79 58.46 o
-1 2 10 547.45 595.39 61.36 o
0 2 10 7481.52 7420.15 192.08 o
-1 3 10 25.06 91.73 36.79 o
0 3 10 542.47 608.14 59.77 o
-2 4 10 24916.46 25206.97 430.82 o
-1 4 10 179.17 159.30 36.95 o
0 4 10 6380.34 6441.27 162.07 o
-2 5 10 915.72 971.08 56.39 o
-1 5 10 412.82 483.79 49.82 o
0 5 10 374.63 348.47 78.66 o
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-2 6 10 5475.32 5752.31 159.49 o
-1 6 10 31.95 82.72 62.46 o
0 6 10 18359.33 19104.07 504.34 o
-3 7 10 354.50 320.35 65.49 o
-2 7 10 406.20 412.17 73.87 o
-1 7 10 636.62 678.33 81.68 o
0 7 10 1638.70 1874.12 156.79 o
-4 8 10 15867.50 16431.46 455.33 o
-3 8 10 85.39 43.42 69.12 o
-2 8 10 4082.52 4084.10 141.51 o
-1 8 10 174.08 93.28 77.86 o
0 1 11 185.33 318.71 66.19 o
0 2 11 15892.48 16291.43 347.23 o
-1 3 11 468.11 559.39 55.44 o
0 3 11 313.23 389.81 79.30 o
-1 4 11 136.72 191.39 55.54 o
0 4 11 13684.38 13872.95 417.23 o
-2 5 11 28.60 68.57 73.05 o
-1 5 11 275.03 310.94 69.98 o
0 5 11 805.38 843.97 114.71 o
-2 6 11 11832.34 12595.40 274.16 o
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0 6 11 0.00 -102.22 114.74 o
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0 0 12 16818.12 18371.43 1145.32 o
0 1 12 202.73 160.86 80.41 o
-1 2 12 211.19 312.20 85.20 o
0 2 12 3696.77 3879.11 170.01 o
-1 3 12 3.04 83.36 59.29 o
0 3 12 212.96 319.83 90.66 o
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-1 4 12 163.41 131.93 73.24 o