#------------------------------------------------------------------------------
#$Date: 2020-06-06 08:28:45 +0300 (Sat, 06 Jun 2020) $
#$Revision: 252979 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/34/2243421.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_2243421
_cell_angle_alpha                71.842
_cell_angle_beta                 74.702
_cell_angle_gamma                72.694
_cell_length_a                   7.2090
_cell_length_b                   8.1422
_cell_length_c                   12.3904
_exptl_crystal_F_000             428.00
_reflns_d_resolution_high        0.8162
_cod_data_source_file            pk2634Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' TA6CUII   IPDS  -50DEGC'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            171.81
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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 0 0 3668.65 2625.55 355.43 o
2 0 0 12610.04 12537.20 262.75 o
3 0 0 2538.66 2451.39 89.97 o
4 0 0 1600.21 1580.59 68.19 o
5 0 0 11548.64 10089.60 1255.37 o
6 0 0 200.60 199.79 24.43 o
7 0 0 1492.93 1827.99 72.67 o
8 0 0 32.97 28.94 42.71 o
-8 1 0 800.79 542.81 109.92 o
-7 1 0 356.13 399.79 41.89 o
-6 1 0 3552.95 3628.54 237.24 o
-5 1 0 71.18 67.30 20.14 o
-4 1 0 846.83 734.34 28.02 o
-3 1 0 1433.31 1375.68 40.16 o
-2 1 0 705.49 676.53 32.36 o
-1 1 0 11270.41 10330.81 560.78 o
0 1 0 2363.11 2686.16 79.54 o
1 1 0 86.15 57.23 6.88 o
2 1 0 4536.23 4182.56 559.89 o
3 1 0 479.32 543.83 36.92 o
4 1 0 13512.87 11182.65 749.77 o
5 1 0 2367.32 1904.31 72.33 o
6 1 0 1591.99 1537.02 166.83 o
7 1 0 57.43 62.06 24.48 o
8 1 0 55.62 40.24 35.02 o
-7 2 0 1595.66 1712.59 254.73 o
-6 2 0 18.15 36.89 37.04 o
-5 2 0 886.20 846.62 92.08 o
-4 2 0 6034.04 4517.39 865.33 o
-3 2 0 0.68 4.53 24.87 o
-1 2 0 5.29 17.53 21.80 o
0 2 0 13357.92 20844.51 524.80 o
1 2 0 6214.41 7235.19 194.93 o
2 2 0 305.20 319.35 13.84 o
3 2 0 18210.17 16697.34 845.64 o
4 2 0 363.49 397.07 45.41 o
5 2 0 3074.28 3524.44 119.52 o
6 2 0 582.33 558.44 47.78 o
7 2 0 1.14 -16.01 22.81 o
8 2 0 629.19 753.06 40.84 o
-7 3 0 70.03 49.35 77.78 o
-6 3 0 1083.47 1090.14 55.03 o
-5 3 0 13.28 26.06 33.05 o
-4 3 0 10.25 17.44 30.86 o
-3 3 0 2808.75 2546.54 91.39 o
-2 3 0 978.23 1132.99 52.27 o
-1 3 0 11227.54 14240.81 1032.97 o
0 3 0 2128.14 2811.85 77.11 o
1 3 0 2170.43 3007.56 47.86 o
2 3 0 9846.80 10820.14 187.21 o
3 3 0 15.55 12.49 13.47 o
4 3 0 6572.31 7126.77 137.27 o
5 3 0 1030.62 1092.08 24.27 o
6 3 0 705.14 764.30 84.96 o
7 3 0 1986.05 2294.06 51.35 o
8 3 0 0.27 2.03 34.67 o
-6 4 0 974.13 737.05 201.99 o
-5 4 0 293.45 302.58 77.79 o
-4 4 0 7446.93 7184.36 184.94 o
-3 4 0 618.09 559.32 53.87 o
-2 4 0 4834.13 4546.63 563.89 o
-1 4 0 736.01 960.05 45.56 o
0 4 0 1260.44 1746.92 35.53 o
1 4 0 8347.11 10670.94 866.67 o
2 4 0 2143.18 2720.39 49.62 o
3 4 0 10031.19 10198.60 835.82 o
4 4 0 13.59 5.61 12.01 o
5 4 0 73.13 83.87 13.59 o
6 4 0 502.05 380.75 23.03 o
7 4 0 392.01 488.69 30.45 o
8 4 0 1626.10 1750.98 220.08 o
-2 5 0 54.77 45.41 40.06 o
-1 5 0 883.05 1037.56 35.88 o
0 5 0 4581.23 5509.44 107.25 o
1 5 0 1316.31 1500.37 36.39 o
2 5 0 13277.21 14526.56 1200.95 o
3 5 0 955.65 1029.49 29.64 o
4 5 0 805.30 859.33 42.68 o
5 5 0 2601.63 2869.90 47.34 o
6 5 0 701.38 657.50 43.51 o
7 5 0 2704.16 2405.31 111.68 o
8 5 0 52.54 49.66 36.60 o
-2 6 0 761.90 674.84 153.05 o
-1 6 0 4368.03 4911.09 131.31 o
0 6 0 850.80 963.50 36.30 o
1 6 0 7025.80 8119.66 508.67 o
2 6 0 422.96 437.58 26.57 o
3 6 0 10.70 17.15 23.48 o
4 6 0 532.01 477.87 40.01 o
5 6 0 954.59 1028.31 37.26 o
6 6 0 5155.25 5864.73 151.69 o
7 6 0 319.38 299.47 33.35 o
-2 7 0 1565.84 1229.65 294.87 o
-1 7 0 589.90 586.38 53.26 o
0 7 0 4655.32 4299.89 420.69 o
1 7 0 1027.22 996.81 122.89 o
2 7 0 682.45 675.82 34.56 o
3 7 0 2278.27 2439.45 140.19 o
4 7 0 507.73 581.28 34.67 o
5 7 0 2964.15 3178.99 69.84 o
6 7 0 74.20 92.67 32.39 o
7 7 0 7.67 0.16 44.46 o
-1 8 0 1303.55 1266.72 91.23 o
0 8 0 10.11 34.15 46.36 o
1 8 0 126.30 119.46 34.51 o
2 8 0 542.60 543.29 38.52 o
3 8 0 244.43 203.09 41.06 o
4 8 0 3139.48 3169.22 72.93 o
5 8 0 3.55 -6.26 32.96 o
6 8 0 648.78 566.71 40.90 o
0 9 0 743.64 652.19 66.34 o
1 9 0 228.15 238.50 53.90 o
2 9 0 388.36 368.91 41.57 o
3 9 0 580.19 539.75 56.25 o
4 9 0 761.61 750.27 54.15 o
-3 -9 1 4.62 39.22 43.82 o
-2 -9 1 444.66 405.55 48.08 o
-1 -9 1 893.50 780.61 64.12 o
0 -9 1 228.32 189.76 61.29 o
-5 -8 1 240.20 251.80 38.73 o
-4 -8 1 70.46 75.02 34.51 o
-3 -8 1 438.32 450.53 42.11 o
-2 -8 1 163.01 190.36 42.14 o
-1 -8 1 3078.52 3064.61 91.88 o
0 -8 1 1194.02 1122.39 62.14 o
1 -8 1 79.88 61.16 67.04 o
-6 -7 1 166.17 144.43 33.17 o
-5 -7 1 406.39 475.62 45.75 o
-4 -7 1 18.79 16.48 26.59 o
-3 -7 1 1199.66 1239.40 139.85 o
-2 -7 1 986.42 1086.16 196.15 o
-1 -7 1 960.19 1101.15 50.82 o
0 -7 1 157.96 140.00 40.31 o
1 -7 1 848.42 919.45 61.97 o
-7 -6 1 6.24 6.96 35.97 o
-6 -6 1 21.27 18.04 19.89 o
-5 -6 1 849.16 697.06 21.49 o
-4 -6 1 16.07 15.35 27.73 o
-3 -6 1 1560.02 1662.12 140.61 o
-2 -6 1 642.13 689.46 40.85 o
-1 -6 1 201.28 242.15 26.40 o
0 -6 1 72.94 87.63 32.83 o
1 -6 1 286.01 328.21 42.72 o
-7 -5 1 19.76 23.80 23.98 o
-6 -5 1 3.77 22.61 24.01 o
-5 -5 1 806.24 837.11 74.52 o
-4 -5 1 996.89 1014.86 76.98 o
-3 -5 1 157.12 135.59 12.80 o
-2 -5 1 20.29 13.82 22.55 o
-1 -5 1 495.42 562.52 27.55 o
0 -5 1 312.70 343.11 27.62 o
1 -5 1 2.11 3.01 25.93 o
-8 -4 1 159.79 137.62 28.28 o
-7 -4 1 121.52 124.80 21.16 o
-6 -4 1 484.60 383.85 18.50 o
-5 -4 1 879.94 956.92 25.93 o
-4 -4 1 276.89 287.62 23.49 o
-3 -4 1 14.48 13.88 10.33 o
-2 -4 1 3.08 4.62 10.51 o
-1 -4 1 35.27 25.49 14.59 o
0 -4 1 349.83 560.56 76.88 o
1 -4 1 35.20 35.59 24.85 o
-8 -3 1 69.96 44.11 26.92 o
-7 -3 1 1047.79 1126.15 94.46 o
-6 -3 1 1066.45 917.72 79.95 o
-5 -3 1 23.65 20.01 16.07 o
-4 -3 1 1209.95 1091.48 85.96 o
-3 -3 1 3010.77 2644.08 210.71 o
-2 -3 1 1305.57 1324.11 25.68 o
-1 -3 1 55.89 51.99 9.79 o
0 -3 1 2941.61 3745.28 228.91 o
1 -3 1 8019.93 9051.61 308.38 o
5 -3 1 1005.57 983.55 69.27 o
6 -3 1 259.66 287.73 69.45 o
7 -3 1 346.33 361.53 99.68 o
-8 -2 1 542.66 528.89 45.48 o
-7 -2 1 862.88 923.80 79.96 o
-6 -2 1 584.94 524.11 22.51 o
-5 -2 1 591.11 498.82 36.39 o
-4 -2 1 124.23 126.39 13.52 o
-3 -2 1 1946.03 1764.40 241.27 o
-2 -2 1 155.75 111.85 10.46 o
-1 -2 1 3.05 6.31 10.78 o
0 -2 1 1.39 10.44 11.53 o
1 -2 1 8987.51 10162.13 333.70 o
3 -2 1 1185.29 1055.65 64.23 o
4 -2 1 1.76 6.14 25.20 o
5 -2 1 792.37 804.66 111.67 o
6 -2 1 6277.10 4972.48 1561.28 o
7 -2 1 182.69 194.67 68.42 o
-8 -1 1 680.15 744.25 41.44 o
-7 -1 1 10.28 -4.43 31.30 o
-6 -1 1 432.50 344.66 25.77 o
-5 -1 1 1399.60 1243.53 43.76 o
-4 -1 1 2443.82 2071.38 293.11 o
-3 -1 1 1420.88 1334.20 31.49 o
-2 -1 1 91.00 66.35 10.13 o
-1 -1 1 3909.31 3770.00 93.17 o
0 -1 1 5748.65 5472.99 149.36 o
2 -1 1 1085.26 1059.81 58.69 o
3 -1 1 1100.43 1007.77 60.90 o
4 -1 1 810.35 770.99 24.33 o
5 -1 1 1512.45 1538.00 70.70 o
6 -1 1 169.61 189.08 27.66 o
7 -1 1 570.50 594.57 78.35 o
8 -1 1 53.09 73.00 68.32 o
-8 0 1 242.04 188.10 42.87 o
-7 0 1 138.40 170.76 33.99 o
-6 0 1 1.31 27.67 22.26 o
-5 0 1 158.11 123.45 22.16 o
-4 0 1 0.63 5.42 16.23 o
-3 0 1 1.79 2.34 12.70 o
-2 0 1 15.66 17.42 11.39 o
-1 0 1 1310.75 1128.36 36.82 o
1 0 1 1919.05 1551.75 61.04 o
2 0 1 697.06 648.01 60.75 o
3 0 1 125.16 137.87 20.15 o
4 0 1 6163.65 6306.66 252.47 o
5 0 1 183.14 182.92 22.43 o
6 0 1 1575.01 1634.48 63.52 o
7 0 1 30.82 27.54 31.26 o
8 0 1 23.33 -0.74 59.76 o
-7 1 1 0.19 -15.34 32.11 o
-6 1 1 55.96 68.49 30.53 o
-5 1 1 227.33 212.07 25.72 o
-4 1 1 1048.52 952.83 31.28 o
-3 1 1 3016.98 2798.30 64.67 o
-2 1 1 1180.61 1071.01 34.82 o
-1 1 1 317.96 227.33 21.14 o
0 1 1 3448.35 3463.82 102.51 o
1 1 1 4664.38 5288.35 117.33 o
2 1 1 1081.92 990.54 80.88 o
3 1 1 1500.53 1478.90 198.50 o
4 1 1 370.46 374.87 26.24 o
5 1 1 4888.04 5236.35 117.60 o
6 1 1 37.14 54.49 23.24 o
7 1 1 631.17 641.68 69.50 o
8 1 1 188.41 228.95 50.98 o
-7 2 1 9.57 18.89 46.12 o
-6 2 1 585.07 535.19 64.92 o
-5 2 1 465.50 380.32 72.17 o
-4 2 1 90.48 69.76 26.61 o
-3 2 1 573.46 453.08 71.41 o
-2 2 1 1028.63 1018.76 36.51 o
-1 2 1 5787.40 6617.72 198.48 o
0 2 1 800.71 1199.01 49.96 o
1 2 1 39.69 61.86 17.53 o
2 2 1 5378.15 5783.79 637.27 o
3 2 1 23.43 19.91 9.66 o
4 2 1 2444.86 2532.18 304.72 o
5 2 1 81.38 68.50 14.32 o
6 2 1 12.34 20.12 19.11 o
7 2 1 927.81 871.62 31.74 o
8 2 1 99.41 90.14 38.73 o
-7 3 1 26.37 32.28 54.75 o
-6 3 1 557.23 586.00 47.71 o
-5 3 1 1362.41 1164.63 52.26 o
-4 3 1 11.01 20.21 26.21 o
-3 3 1 270.30 236.04 22.97 o
-2 3 1 1763.86 1760.01 226.63 o
-1 3 1 7324.04 8742.97 647.61 o
0 3 1 2808.23 3972.54 82.87 o
1 3 1 249.70 346.04 19.24 o
2 3 1 960.10 1096.73 23.05 o
3 3 1 12303.65 12271.40 2168.16 o
4 3 1 307.27 268.85 25.95 o
5 3 1 2421.77 2105.32 147.22 o
6 3 1 51.77 43.53 17.29 o
7 3 1 250.62 248.58 24.16 o
8 3 1 2172.54 2690.70 71.78 o
-6 4 1 174.83 193.09 58.41 o
-5 4 1 20.55 9.85 45.94 o
-4 4 1 1873.60 1957.30 77.78 o
-3 4 1 5116.14 5542.25 205.55 o
-2 4 1 209.07 240.86 55.15 o
-1 4 1 12.77 17.27 23.20 o
0 4 1 1837.67 2678.17 60.40 o
1 4 1 1743.31 2337.64 49.46 o
2 4 1 4992.51 5617.13 374.47 o
3 4 1 56.43 85.51 17.65 o
4 4 1 57.69 26.64 12.33 o
5 4 1 1198.69 1212.69 129.51 o
6 4 1 558.07 516.79 88.11 o
7 4 1 2833.56 3329.60 224.38 o
8 4 1 33.95 6.36 41.88 o
-5 5 1 2.19 10.04 110.51 o
-4 5 1 278.20 267.57 59.59 o
-3 5 1 3003.33 3331.57 118.99 o
-2 5 1 2725.59 2525.78 784.47 o
-1 5 1 561.42 666.86 36.72 o
0 5 1 1169.57 1465.48 32.56 o
1 5 1 9788.03 12149.59 475.47 o
2 5 1 2142.92 2773.06 41.07 o
3 5 1 489.78 549.72 25.12 o
4 5 1 280.45 233.21 33.36 o
5 5 1 272.84 265.59 19.48 o
6 5 1 3687.47 3245.23 282.59 o
7 5 1 111.30 116.55 35.59 o
8 5 1 988.63 1133.84 51.88 o
-3 6 1 0.28 -1.94 51.73 o
-2 6 1 195.79 169.69 32.13 o
-1 6 1 242.69 254.95 28.49 o
0 6 1 463.82 512.54 24.56 o
1 6 1 181.52 232.95 21.59 o
2 6 1 61.22 71.90 19.96 o
3 6 1 2058.42 2279.93 216.52 o
4 6 1 15.12 18.90 25.42 o
5 6 1 1648.43 1567.25 211.57 o
6 6 1 38.37 52.77 24.88 o
7 6 1 441.76 371.73 69.18 o
-2 7 1 235.11 197.69 78.55 o
-1 7 1 1567.63 1558.52 66.65 o
0 7 1 39.84 39.50 29.97 o
1 7 1 905.29 1018.58 86.52 o
2 7 1 91.58 62.29 23.92 o
3 7 1 397.40 416.81 26.63 o
4 7 1 1677.67 1793.17 46.28 o
5 7 1 829.35 787.43 65.96 o
6 7 1 1502.91 1486.40 176.96 o
7 7 1 98.24 80.44 31.66 o
-2 8 1 6.30 1.45 79.96 o
-1 8 1 964.91 923.62 107.31 o
0 8 1 686.54 662.63 48.27 o
1 8 1 77.94 65.17 28.86 o
2 8 1 90.66 114.18 34.74 o
3 8 1 267.04 241.93 28.74 o
4 8 1 469.63 477.53 32.62 o
5 8 1 1271.03 1259.68 51.51 o
6 8 1 113.22 72.62 36.74 o
0 9 1 68.74 61.61 62.83 o
1 9 1 1371.27 1338.79 71.72 o
2 9 1 1445.24 1339.58 97.57 o
3 9 1 1294.40 1327.29 62.56 o
4 9 1 1962.38 2065.75 66.94 o
5 9 1 30.26 40.48 49.70 o
-5 -8 2 657.14 705.60 107.46 o
-4 -8 2 250.55 229.78 36.16 o
-3 -8 2 228.37 195.75 45.72 o
-2 -8 2 3417.06 3653.70 174.05 o
-1 -8 2 112.01 119.26 43.86 o
0 -8 2 1238.70 1245.46 116.97 o
1 -8 2 750.84 557.70 79.16 o
-6 -7 2 21.72 23.16 38.32 o
-5 -7 2 1220.61 1432.36 50.03 o
-4 -7 2 718.75 860.28 64.78 o
-3 -7 2 3297.43 3566.51 74.86 o
-2 -7 2 51.32 36.63 28.21 o
-1 -7 2 90.17 106.70 36.56 o
0 -7 2 295.33 306.75 42.57 o
1 -7 2 787.01 619.57 55.03 o
-7 -6 2 1017.36 838.23 52.84 o
-6 -6 2 393.45 410.70 29.10 o
-5 -6 2 242.10 219.35 31.40 o
-4 -6 2 4587.73 4094.77 106.74 o
-3 -6 2 2600.81 2606.08 152.94 o
-2 -6 2 6059.28 6607.04 115.82 o
-1 -6 2 1754.31 1984.96 79.76 o
0 -6 2 32.31 63.74 30.59 o
1 -6 2 2937.71 2971.32 98.93 o
-7 -5 2 588.34 578.60 32.68 o
-6 -5 2 415.72 538.36 29.34 o
-5 -5 2 1443.49 1378.07 115.59 o
-4 -5 2 1554.85 1507.09 103.22 o
-3 -5 2 1861.90 1824.40 118.01 o
-2 -5 2 64.41 64.84 15.33 o
-1 -5 2 1301.00 1360.76 38.96 o
0 -5 2 4374.04 4944.66 452.21 o
1 -5 2 537.39 552.55 38.43 o
-7 -4 2 637.44 631.43 64.17 o
-6 -4 2 4217.65 4199.15 418.81 o
-5 -4 2 3992.74 4363.13 88.13 o
-4 -4 2 10923.29 10623.55 857.29 o
-3 -4 2 765.59 754.03 66.68 o
-2 -4 2 922.54 920.83 31.84 o
-1 -4 2 8056.67 8901.63 217.85 o
0 -4 2 8990.88 10473.14 806.52 o
1 -4 2 7718.18 7635.45 167.63 o
-8 -3 2 376.95 377.91 27.71 o
-7 -3 2 1576.23 1621.65 132.93 o
-6 -3 2 614.34 713.10 33.35 o
-5 -3 2 1834.13 1845.85 179.98 o
-4 -3 2 259.44 193.15 15.29 o
-3 -3 2 1660.72 1740.32 39.12 o
-2 -3 2 9239.52 7808.99 207.33 o
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0 -3 2 12229.65 12398.98 247.00 o
1 -3 2 33.98 53.95 23.90 o
-8 -2 2 2034.44 2603.07 62.14 o
-7 -2 2 1369.89 1619.08 40.89 o
-6 -2 2 2789.35 2629.92 206.30 o
-5 -2 2 1648.68 1541.21 35.44 o
-4 -2 2 821.17 788.89 101.83 o
-3 -2 2 7273.56 6667.86 1167.38 o
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6 -2 2 268.19 279.75 67.40 o
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-1 -1 2 12243.57 13948.32 282.71 o
0 -1 2 893.66 783.48 66.14 o
1 -1 2 15863.86 12822.52 267.62 o
2 -1 2 4293.58 3438.63 387.17 o
3 -1 2 10642.56 9820.23 203.77 o
4 -1 2 1081.28 987.88 110.34 o
5 -1 2 35.18 54.53 28.18 o
6 -1 2 535.53 542.78 41.11 o
7 -1 2 1541.24 1604.90 173.63 o
8 -1 2 752.71 906.20 238.52 o
-7 0 2 976.01 1067.46 81.32 o
-6 0 2 123.32 122.86 32.05 o
-5 0 2 1383.75 1155.84 91.41 o
-4 0 2 5983.82 5010.64 548.02 o
-3 0 2 2980.17 2802.31 86.96 o
-2 0 2 6325.61 5476.13 626.55 o
-1 0 2 1720.16 1487.94 191.05 o
0 0 2 213.15 93.08 15.64 o
1 0 2 5764.88 4421.36 499.37 o
2 0 2 3378.26 3421.16 62.64 o
3 0 2 5689.55 5609.92 613.64 o
4 0 2 4993.89 5287.35 313.17 o
5 0 2 148.88 139.64 25.45 o
6 0 2 49.61 55.53 30.66 o
7 0 2 337.37 379.14 41.01 o
8 0 2 82.86 115.60 54.99 o
-7 1 2 217.73 255.52 32.99 o
-6 1 2 694.41 720.32 105.68 o
-5 1 2 2053.75 2064.49 56.69 o
-4 1 2 4799.94 4658.71 95.83 o
-3 1 2 11988.40 12125.44 224.55 o
-2 1 2 5960.14 4436.41 85.96 o
-1 1 2 12110.93 9311.25 773.32 o
0 1 2 7453.13 7209.68 235.17 o
1 1 2 8791.62 8443.62 1297.72 o
2 1 2 22352.38 22507.74 441.32 o
3 1 2 2365.20 2478.24 126.37 o
4 1 2 422.93 528.89 37.99 o
5 1 2 5533.36 5121.07 670.20 o
6 1 2 1124.18 1237.51 51.95 o
7 1 2 1781.36 2179.97 133.96 o
8 1 2 371.45 473.60 52.44 o
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