#------------------------------------------------------------------------------
#$Date: 2020-06-06 08:28:45 +0300 (Sat, 06 Jun 2020) $
#$Revision: 252979 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/34/2243422.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_2243422
_cell_angle_alpha                106.839
_cell_angle_beta                 104.644
_cell_angle_gamma                93.412
_cell_length_a                   7.7713
_cell_length_b                   8.9456
_cell_length_c                   11.2464
_exptl_crystal_F_000             558.00
_reflns_d_resolution_high        0.8257
_cod_data_source_file            pk2634IIsup3.hkl
_cod_data_source_block           II
_shelx_title                     ' TA6CU1   IPDS  RT'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            243.94
_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 7730.28 6014.60 903.29 o
2 0 0 20174.72 16835.35 3022.04 o
3 0 0 1489.80 1492.78 58.63 o
4 0 0 1080.76 915.45 45.21 o
5 0 0 2721.42 2764.71 181.26 o
6 0 0 102.65 102.36 44.57 o
7 0 0 920.65 1003.01 77.53 o
8 0 0 1840.72 1998.14 164.96 o
9 0 0 2.68 84.34 194.09 o
-9 1 0 34.85 0.00 147.14 o
-8 1 0 27.87 59.50 86.51 o
-7 1 0 655.60 615.62 66.78 o
-6 1 0 3577.13 4264.80 282.08 o
-5 1 0 18841.71 21169.91 1339.72 o
-4 1 0 1714.28 1650.35 76.84 o
-3 1 0 13173.66 11732.86 1515.94 o
-2 1 0 2267.53 2334.42 87.35 o
-1 1 0 36537.33 38662.21 1884.35 o
0 1 0 14320.32 15536.65 464.26 o
1 1 0 39.65 40.85 33.37 o
2 1 0 687.38 554.19 49.18 o
3 1 0 4071.31 4022.92 209.59 o
4 1 0 98.59 78.30 25.82 o
5 1 0 2779.24 3047.68 154.34 o
6 1 0 413.63 322.82 58.96 o
7 1 0 8220.50 8179.92 2316.80 o
8 1 0 1341.18 1459.31 269.00 o
-9 2 0 185.80 149.16 119.39 o
-8 2 0 387.39 594.48 111.53 o
-7 2 0 312.01 409.45 93.79 o
-6 2 0 11233.81 11053.04 940.38 o
-5 2 0 2999.99 3025.50 121.94 o
-4 2 0 3850.40 3505.15 627.70 o
-3 2 0 5297.11 5377.07 208.70 o
-2 2 0 4385.83 3506.35 158.33 o
-1 2 0 10957.25 10171.98 1154.88 o
0 2 0 1782.07 1916.07 289.80 o
1 2 0 10159.96 13020.25 977.54 o
2 2 0 38596.22 29641.66 2011.87 o
3 2 0 4604.62 4511.33 257.74 o
4 2 0 3983.10 3628.29 408.75 o
5 2 0 5853.98 5970.23 378.65 o
6 2 0 1301.80 1485.91 92.19 o
7 2 0 2699.27 2939.14 807.72 o
8 2 0 46.93 0.00 112.07 o
-9 3 0 520.10 565.73 156.21 o
-8 3 0 817.79 868.40 93.44 o
-7 3 0 2375.07 2782.03 153.65 o
-6 3 0 4250.01 3984.53 158.66 o
-5 3 0 28.79 41.15 47.99 o
-4 3 0 40.31 0.00 52.15 o
-3 3 0 4111.08 4112.11 352.91 o
-2 3 0 7923.89 7345.62 210.39 o
-1 3 0 4320.62 5517.36 971.52 o
0 3 0 3323.00 4219.22 111.06 o
1 3 0 26759.61 30133.37 571.97 o
2 3 0 23524.44 26694.40 2100.84 o
3 3 0 1887.05 1853.34 203.76 o
4 3 0 6798.36 5985.45 1375.34 o
5 3 0 62.71 55.33 61.89 o
6 3 0 2106.83 2000.23 100.96 o
7 3 0 130.04 138.24 65.72 o
8 3 0 1.25 81.11 92.02 o
-8 4 0 91.78 131.24 98.88 o
-7 4 0 1790.28 2055.23 112.88 o
-6 4 0 390.75 382.10 60.99 o
-5 4 0 418.96 386.59 52.62 o
-4 4 0 6466.53 5697.98 188.43 o
-3 4 0 1762.79 1543.25 84.95 o
-2 4 0 10738.84 10925.13 2407.74 o
-1 4 0 16748.64 22050.61 4175.45 o
0 4 0 7228.57 8101.22 213.63 o
1 4 0 31526.45 30363.47 2874.36 o
2 4 0 480.40 520.03 68.45 o
3 4 0 347.58 363.22 64.18 o
4 4 0 11.07 30.96 51.00 o
5 4 0 1680.32 1312.83 205.31 o
6 4 0 12.64 3.29 63.74 o
7 4 0 1146.93 1173.27 96.47 o
-8 5 0 6.18 0.00 127.94 o
-7 5 0 1311.29 1317.43 120.16 o
-6 5 0 2046.82 2113.52 117.03 o
-5 5 0 7331.37 7043.47 172.83 o
-4 5 0 11484.52 11005.44 676.11 o
-3 5 0 3.87 82.76 87.49 o
-1 5 0 2062.77 2851.35 189.59 o
0 5 0 15025.39 19517.11 3354.19 o
1 5 0 1992.86 2441.66 86.18 o
2 5 0 2.97 38.57 57.11 o
3 5 0 1214.11 976.16 110.63 o
4 5 0 782.60 520.27 61.55 o
5 5 0 843.08 617.52 59.57 o
6 5 0 2840.93 2198.81 187.23 o
7 5 0 76.96 45.97 83.55 o
-8 6 0 121.94 68.18 158.51 o
-7 6 0 2997.06 2968.05 224.15 o
-6 6 0 31.69 61.54 108.89 o
-5 6 0 5686.42 6017.73 927.25 o
-4 6 0 4093.46 4239.84 728.84 o
-1 6 0 423.79 490.83 106.54 o
0 6 0 1494.13 1745.86 179.93 o
1 6 0 7369.66 8175.80 630.95 o
2 6 0 2808.47 3237.27 107.12 o
3 6 0 10549.94 11829.44 560.00 o
4 6 0 1044.29 881.51 200.37 o
5 6 0 2735.39 2076.02 114.15 o
6 6 0 1309.86 1103.13 117.51 o
-7 7 0 457.60 383.40 169.74 o
-6 7 0 386.76 391.47 156.88 o
-5 7 0 1.44 11.01 168.41 o
-1 7 0 19.92 13.66 131.84 o
0 7 0 16066.56 17310.29 3686.44 o
1 7 0 232.08 222.86 86.55 o
2 7 0 6974.18 8764.73 239.79 o
3 7 0 4032.70 4958.81 609.89 o
4 7 0 26.99 56.57 106.94 o
5 7 0 1479.59 1250.08 368.59 o
0 8 0 5934.92 6990.74 2286.25 o
1 8 0 31.04 0.00 120.53 o
2 8 0 460.47 624.76 112.09 o
3 8 0 38.23 49.86 123.25 o
4 8 0 5.59 63.00 135.48 o
0 9 0 42.32 90.79 159.44 o
1 9 0 172.05 278.10 155.85 o
2 9 0 437.67 399.97 158.64 o
3 9 0 9.94 51.37 176.80 o
0 10 0 128.11 130.15 206.45 o
1 10 0 2554.24 2295.92 434.50 o
-1 -10 1 76.07 22.22 177.60 o
-3 -9 1 54.20 108.69 150.94 o
-2 -9 1 1355.98 1486.12 144.74 o
-1 -9 1 1814.40 2050.71 293.14 o
0 -9 1 62.48 65.43 219.49 o
-5 -8 1 652.36 443.81 121.82 o
-4 -8 1 1739.65 1896.84 151.68 o
-3 -8 1 15.50 42.81 119.89 o
-2 -8 1 3633.69 4518.73 168.78 o
-1 -8 1 98.30 115.63 116.50 o
0 -8 1 9.62 0.00 134.40 o
-6 -7 1 63.73 36.63 131.10 o
-5 -7 1 1011.07 749.79 123.77 o
-4 -7 1 1306.80 1278.85 101.50 o
-3 -7 1 75.35 130.71 95.41 o
-2 -7 1 170.06 202.33 85.95 o
-1 -7 1 321.67 304.07 92.49 o
0 -7 1 397.65 562.04 122.97 o
5 -7 1 289.52 203.42 175.35 o
6 -7 1 708.73 569.52 170.62 o
7 -7 1 46.96 150.47 172.24 o
-6 -6 1 116.68 90.63 76.52 o
-5 -6 1 519.15 430.87 67.29 o
-4 -6 1 447.33 379.66 106.04 o
-3 -6 1 120.79 67.97 74.40 o
-2 -6 1 139.60 105.57 71.20 o
-1 -6 1 2021.07 2601.53 127.73 o
0 -6 1 1026.71 1828.05 118.24 o
4 -6 1 1269.74 1258.66 130.94 o
5 -6 1 244.05 148.02 96.70 o
6 -6 1 354.91 240.49 110.19 o
7 -6 1 7.78 42.66 124.65 o
8 -6 1 35.61 115.95 165.29 o
-7 -5 1 350.90 326.49 76.40 o
-6 -5 1 1018.50 912.51 98.74 o
-5 -5 1 35.59 69.67 67.23 o
-4 -5 1 974.10 1024.13 71.73 o
-3 -5 1 7003.60 6030.40 1255.40 o
-2 -5 1 844.02 927.93 205.58 o
-1 -5 1 3039.07 3995.56 117.46 o
0 -5 1 5362.81 8403.17 1157.78 o
3 -5 1 2501.95 2525.84 212.75 o
4 -5 1 341.76 250.80 69.20 o
5 -5 1 663.33 639.80 85.04 o
6 -5 1 61.08 41.57 97.17 o
7 -5 1 25.23 38.39 113.70 o
8 -5 1 25.64 0.00 135.34 o
-8 -4 1 205.66 108.85 150.40 o
-7 -4 1 670.97 625.88 95.71 o
-6 -4 1 2370.80 1870.12 229.81 o
-5 -4 1 84.34 52.76 51.03 o
-4 -4 1 3512.99 3690.27 160.43 o
-3 -4 1 8918.25 7536.63 1067.24 o
-2 -4 1 211.70 489.06 115.23 o
-1 -4 1 5558.62 7243.72 173.14 o
2 -4 1 4254.19 5599.90 250.84 o
3 -4 1 224.01 183.59 51.73 o
4 -4 1 783.03 821.34 68.23 o
5 -4 1 3418.21 3538.94 195.03 o
6 -4 1 107.01 89.30 54.28 o
7 -4 1 713.07 690.39 99.10 o
8 -4 1 469.52 442.24 133.11 o
-8 -3 1 299.84 210.98 90.41 o
-7 -3 1 1320.99 1542.30 176.41 o
-6 -3 1 1723.41 1988.14 120.12 o
-5 -3 1 2427.28 2171.75 236.98 o
-4 -3 1 31.69 0.00 42.81 o
-3 -3 1 2332.35 2325.76 280.81 o
-2 -3 1 540.55 687.97 52.57 o
-1 -3 1 225.52 548.54 127.02 o
0 -3 1 2553.00 4694.34 140.44 o
2 -3 1 3288.62 2773.68 254.71 o
3 -3 1 0.53 4.26 47.54 o
4 -3 1 7956.14 8088.33 301.56 o
5 -3 1 1190.44 1299.06 72.95 o
6 -3 1 1733.74 1993.05 94.54 o
7 -3 1 3668.87 4455.16 144.72 o
8 -3 1 223.86 191.14 122.41 o
-8 -2 1 226.11 210.96 81.06 o
-7 -2 1 160.99 89.18 59.02 o
-6 -2 1 662.52 766.85 58.18 o
-5 -2 1 1192.60 1242.72 157.49 o
-4 -2 1 7.82 0.00 46.39 o
-3 -2 1 522.66 450.22 90.32 o
-2 -2 1 3718.54 3798.71 737.13 o
-1 -2 1 15797.34 23247.88 2133.31 o
0 -2 1 2100.60 3180.62 161.09 o
1 -2 1 32833.76 30448.28 1953.76 o
2 -2 1 36838.19 31542.43 1338.33 o
3 -2 1 68.66 68.12 47.91 o
4 -2 1 9914.88 9993.88 1649.55 o
5 -2 1 474.09 491.69 68.45 o
6 -2 1 86.32 73.98 52.70 o
7 -2 1 462.80 482.65 94.95 o
8 -2 1 1.27 0.00 109.94 o
-9 -1 1 4.17 42.39 119.36 o
-8 -1 1 1.91 0.00 117.04 o
-7 -1 1 209.58 274.34 63.24 o
-6 -1 1 419.78 385.41 46.41 o
-5 -1 1 1735.45 1226.71 96.15 o
-4 -1 1 9018.50 8716.40 1265.47 o
-3 -1 1 1677.99 1415.32 55.32 o
-2 -1 1 6087.07 7592.76 179.18 o
-1 -1 1 1405.38 1597.50 89.04 o
0 -1 1 5.34 12.75 67.06 o
1 -1 1 13577.84 10077.31 1390.61 o
2 -1 1 5430.35 5247.07 287.89 o
3 -1 1 2052.59 1902.49 208.88 o
4 -1 1 186.58 218.15 38.55 o
5 -1 1 80.48 88.36 58.42 o
6 -1 1 34.90 33.07 72.38 o
7 -1 1 71.63 78.43 99.18 o
8 -1 1 468.50 403.22 77.50 o
-9 0 1 120.61 75.14 113.83 o
-8 0 1 477.98 404.21 86.95 o
-7 0 1 2.62 0.00 52.26 o
-6 0 1 3248.42 3397.24 389.37 o
-5 0 1 9042.89 10305.55 183.80 o
-4 0 1 6210.85 5816.34 730.94 o
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-2 0 1 5617.13 7254.66 313.18 o
-1 0 1 724.97 885.96 79.26 o
1 0 1 10088.22 8663.65 1157.91 o
2 0 1 4441.94 3256.92 178.51 o
3 0 1 3510.46 2963.10 601.42 o
4 0 1 5153.97 5062.85 343.96 o
5 0 1 23.60 50.48 54.21 o
6 0 1 1399.56 1708.92 79.96 o
7 0 1 309.45 290.14 95.44 o
8 0 1 636.12 810.80 115.91 o
-9 1 1 15.54 0.00 95.95 o
-8 1 1 807.06 992.48 89.49 o
-7 1 1 245.81 210.20 47.77 o
-6 1 1 497.11 373.76 53.78 o
-5 1 1 6206.89 5558.67 609.40 o
-4 1 1 6789.02 6337.03 696.02 o
-3 1 1 455.10 539.07 50.43 o
-2 1 1 120.26 100.23 43.73 o
-1 1 1 394.49 356.57 68.46 o
0 1 1 4224.88 3756.06 141.70 o
1 1 1 609.58 551.29 117.71 o
2 1 1 2267.68 1545.44 112.07 o
3 1 1 18904.92 16558.32 874.34 o
4 1 1 746.18 823.42 63.11 o
5 1 1 4383.32 4024.54 939.95 o
6 1 1 1028.13 927.40 83.33 o
7 1 1 895.20 1046.96 155.66 o
8 1 1 1486.53 1567.25 235.02 o
-9 2 1 37.97 23.55 121.28 o
-8 2 1 78.70 0.00 77.91 o
-7 2 1 0.10 30.69 62.47 o
-6 2 1 63.06 160.04 49.06 o
-5 2 1 5439.23 5862.85 139.25 o
-4 2 1 8100.11 8572.18 691.57 o
-3 2 1 10920.71 12024.88 249.12 o
-2 2 1 3841.43 4081.05 124.47 o
-1 2 1 8425.97 8847.90 894.30 o
0 2 1 6872.50 6565.93 754.59 o
1 2 1 25.33 39.84 32.58 o
2 2 1 17015.40 18528.20 619.38 o
3 2 1 23474.21 21491.59 1379.66 o
4 2 1 17.49 34.98 41.58 o
5 2 1 1081.37 1178.11 161.89 o
6 2 1 436.92 412.81 62.13 o
7 2 1 411.40 430.28 96.81 o
8 2 1 11.33 0.00 113.82 o
-9 3 1 539.11 585.90 108.02 o
-8 3 1 808.34 680.67 119.17 o
-7 3 1 1.31 289.69 76.18 o
-6 3 1 1055.96 1200.83 84.43 o
-5 3 1 42.76 53.80 47.97 o
-4 3 1 4131.54 4271.24 355.27 o
-3 3 1 19664.49 19840.93 1404.06 o
-2 3 1 7415.02 7566.78 848.11 o
-1 3 1 1946.74 1646.25 405.77 o
0 3 1 5977.05 6851.63 325.92 o
1 3 1 612.03 547.27 69.79 o
2 3 1 22106.23 22348.54 1734.50 o
3 3 1 2547.86 2808.59 332.91 o
4 3 1 425.80 496.42 55.08 o
5 3 1 664.22 604.22 162.25 o
6 3 1 278.77 290.07 65.07 o
7 3 1 218.77 159.96 68.08 o
-8 4 1 127.16 102.78 77.88 o
-7 4 1 498.00 788.52 77.99 o
-6 4 1 68.32 50.06 60.02 o
-5 4 1 99.04 127.95 63.14 o
-4 4 1 5707.68 5735.30 157.93 o
-3 4 1 18949.92 17781.87 404.85 o
-2 4 1 1772.76 1399.97 87.89 o
-1 4 1 424.23 534.30 80.59 o
0 4 1 787.82 1152.69 69.85 o
1 4 1 79.08 58.57 31.82 o
2 4 1 14.50 0.01 34.41 o
3 4 1 114.78 48.12 54.09 o
4 4 1 5881.41 4581.68 727.64 o
5 4 1 4945.46 4521.64 1064.16 o
6 4 1 1.50 0.00 77.18 o
7 4 1 1277.26 1322.54 170.62 o
-8 5 1 110.76 83.60 126.27 o
-7 5 1 0.11 187.91 74.47 o
-6 5 1 146.12 272.57 93.61 o
-5 5 1 369.19 570.19 135.75 o
-4 5 1 2758.42 2404.69 110.00 o
-3 5 1 609.30 647.87 95.98 o
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-1 5 1 1424.82 1749.06 308.68 o
0 5 1 407.54 458.26 47.38 o
1 5 1 158.49 179.83 46.27 o
2 5 1 1773.09 1233.65 232.48 o
3 5 1 2076.59 2595.77 307.13 o
4 5 1 8300.83 7966.86 477.08 o
5 5 1 849.73 738.96 71.17 o
6 5 1 347.03 245.44 83.86 o
-8 6 1 22.80 0.00 149.68 o
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-1 6 1 3541.55 4083.92 370.98 o
0 6 1 138.72 190.60 54.72 o
1 6 1 3826.02 4253.70 130.70 o
2 6 1 1322.77 1351.48 127.38 o
3 6 1 3084.48 3488.33 331.93 o
4 6 1 835.74 728.68 122.88 o
5 6 1 18.90 0.00 82.22 o
6 6 1 2.53 0.00 93.38 o
-7 7 1 375.12 184.41 156.96 o
-6 7 1 237.90 225.28 151.42 o
-5 7 1 548.91 335.04 119.56 o
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-2 7 1 5612.69 6391.41 298.95 o
-1 7 1 1606.50 2055.66 360.97 o
0 7 1 1696.82 2302.56 653.89 o
1 7 1 2953.20 2928.02 124.54 o
2 7 1 34.23 54.04 67.82 o
3 7 1 1561.56 1495.62 214.62 o
4 7 1 99.91 49.44 87.55 o
5 7 1 59.58 119.78 90.98 o
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-1 8 1 2012.05 2072.73 264.06 o
0 8 1 179.31 216.62 151.28 o
1 8 1 248.71 200.86 112.88 o
2 8 1 4.50 0.00 122.24 o
3 8 1 1196.01 1032.49 319.28 o
4 8 1 94.76 0.00 131.24 o
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0 9 1 897.58 1004.06 424.43 o
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-1 -9 2 383.28 311.65 148.60 o
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-3 -8 2 206.81 198.61 100.55 o
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0 -8 2 26.90 81.95 183.25 o
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6 -6 2 3143.28 3600.88 179.38 o
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-7 -5 2 2940.97 3236.68 134.81 o
-6 -5 2 205.96 205.95 65.06 o
-5 -5 2 6444.87 6570.43 295.23 o
-4 -5 2 0.94 37.00 46.82 o
-3 -5 2 5078.29 4021.05 444.30 o
-2 -5 2 1211.45 1319.90 230.31 o
-1 -5 2 0.18 0.00 41.01 o
0 -5 2 1834.54 3480.48 316.12 o
3 -5 2 3913.60 3230.94 145.81 o
4 -5 2 3795.67 3299.09 123.77 o
5 -5 2 4451.16 4676.41 184.78 o
6 -5 2 2462.39 2760.10 131.59 o
7 -5 2 231.00 215.89 98.19 o
8 -5 2 459.09 564.51 164.85 o
-8 -4 2 1063.78 957.28 217.92 o
-7 -4 2 530.80 403.49 55.90 o
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-5 -4 2 777.61 561.54 42.01 o
-4 -4 2 5155.43 4358.87 661.98 o
-3 -4 2 1.54 31.91 32.35 o
-2 -4 2 243.52 565.93 248.16 o
-1 -4 2 4982.44 6695.25 192.67 o
0 -4 2 31463.62 42615.56 5645.70 o
2 -4 2 18764.32 14871.42 386.70 o
3 -4 2 2737.70 2428.68 93.93 o
4 -4 2 2246.27 2124.05 90.91 o
5 -4 2 2372.44 2423.54 104.43 o
6 -4 2 306.55 272.71 68.54 o
7 -4 2 245.38 268.49 117.32 o
8 -4 2 579.79 648.86 141.26 o
-8 -3 2 1418.43 1229.29 91.24 o
-7 -3 2 176.11 261.99 58.10 o
-6 -3 2 3.38 0.00 42.05 o
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