#------------------------------------------------------------------------------
#$Date: 2022-06-02 05:17:31 +0300 (Thu, 02 Jun 2022) $
#$Revision: 275740 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/89/2108991.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_2108991
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.56420(10)
_cell_length_b                   9.56420(10)
_cell_length_c                   7.58830(10)
_exptl_crystal_F_000             772
_reflns_d_resolution_high        0.3690
_cod_data_source_file            xk5093293Ksup4.hkl
_cod_data_source_block           293K
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            435.48
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
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 2 0 11113.20 11765.50 111.01 o
1 1 0 11998.10 13142.80 79.75 o
0 3 0 19045.10 18932.60 97.37 o
-2 4 0 55965.50 57580.50 833.92 o
2 2 0 55103.00 56159.40 300.08 o
-1 5 0 20410.00 20067.10 126.42 o
1 4 0 20184.80 20011.90 153.18 o
-3 6 0 33302.40 32919.40 168.22 o
3 3 0 36295.00 37282.60 793.97 o
0 6 0 28741.70 27786.50 264.68 o
-2 7 0 39660.00 38029.80 272.97 o
2 5 0 39749.00 38739.60 235.72 o
-4 8 0 10917.30 11063.60 69.05 o
4 4 0 9332.12 9158.87 97.81 o
-1 8 0 3542.78 3485.08 44.72 o
1 7 0 3542.69 3611.46 94.51 o
-3 9 0 9215.14 9064.50 96.83 o
3 6 0 8665.45 8282.65 100.53 o
0 9 0 37581.70 36685.80 176.81 o
-5 10 0 8712.00 8619.23 97.81 o
5 5 0 8532.93 8336.46 126.99 o
-2 10 0 3788.18 3714.32 44.36 o
2 8 0 3759.97 3774.82 43.83 o
-4 11 0 16835.00 16385.70 112.58 o
4 7 0 16921.20 16588.90 111.08 o
-1 11 0 2504.86 2559.78 58.38 o
1 10 0 3112.47 3147.03 44.95 o
-6 12 0 3503.46 3434.30 68.51 o
6 6 0 3006.72 3037.58 61.23 o
-3 12 0 3404.14 3360.14 51.44 o
3 9 0 4087.10 4101.48 51.07 o
0 12 0 2660.57 2671.56 54.94 o
-5 13 0 3868.21 3820.91 67.77 o
5 8 0 4004.79 3949.90 52.52 o
-2 13 0 12360.40 12561.40 101.67 o
2 11 0 12115.60 12058.90 117.47 o
-7 14 0 11114.20 10748.90 201.87 o
7 7 0 10857.70 10730.70 143.80 o
-4 14 0 2953.24 2920.08 79.17 o
4 10 0 2577.70 2605.29 44.05 o
-1 14 0 1843.01 1838.06 44.65 o
1 13 0 1920.00 1954.58 47.42 o
-6 15 0 5598.37 5667.97 156.02 o
6 9 0 5446.15 5398.09 64.99 o
-3 15 0 1818.75 1931.48 60.75 o
3 12 0 1766.03 1809.70 44.20 o
0 15 0 4969.44 4972.60 71.40 o
-8 16 0 1331.34 1377.51 96.77 o
8 8 0 1264.65 1183.86 50.41 o
-5 16 0 4162.31 4257.80 98.46 o
5 11 0 4124.08 4116.93 55.99 o
-2 16 0 4012.54 3942.10 50.05 o
2 14 0 4065.11 3997.47 52.14 o
-7 17 0 1371.91 1378.41 30.27 o
7 10 0 1664.38 1727.76 40.39 o
-4 17 0 1960.16 1909.44 35.47 o
4 13 0 1708.08 1741.92 42.73 o
-1 17 0 1228.08 1307.74 35.10 o
1 16 0 1653.14 1738.97 41.47 o
-9 18 0 5833.49 5909.80 72.89 o
9 9 0 5528.15 5588.15 81.16 o
-6 18 0 1282.75 1229.62 32.61 o
6 12 0 1077.63 1063.78 34.26 o
-3 18 0 1447.59 1534.38 38.99 o
3 15 0 1438.64 1459.34 37.61 o
0 18 0 3490.72 3537.32 45.39 o
-8 19 0 562.90 572.00 25.56 o
8 11 0 615.32 625.28 28.43 o
-5 19 0 791.97 898.11 41.97 o
5 14 0 991.47 1054.03 33.93 o
-2 19 0 524.63 549.59 26.41 o
2 17 0 587.93 630.89 26.28 o
-10 20 0 271.82 286.51 31.91 o
10 10 0 324.72 380.74 29.57 o
-7 20 0 6297.82 6364.57 113.65 o
7 13 0 6246.41 6341.51 97.35 o
-4 20 0 2650.06 2695.34 64.24 o
4 16 0 2541.83 2594.84 39.61 o
-1 20 0 245.80 240.38 20.94 o
1 19 0 247.46 235.42 24.58 o
-9 21 0 482.05 507.97 33.78 o
9 12 0 519.25 566.93 22.47 o
-6 21 0 359.16 361.07 34.61 o
6 15 0 313.16 338.58 21.61 o
-3 21 0 386.29 421.30 31.68 o
3 18 0 446.46 474.07 27.69 o
0 21 0 151.57 153.35 19.94 o
-11 22 0 2990.68 2920.30 113.71 o
11 11 0 3119.17 3279.46 54.36 o
-8 22 0 835.47 890.86 46.77 o
8 14 0 774.91 803.75 27.18 o
-5 22 0 703.11 727.15 44.45 o
5 17 0 701.34 689.26 44.31 o
-2 22 0 2918.49 2895.15 100.99 o
2 20 0 2974.88 2924.03 44.63 o
-10 23 0 626.88 616.96 35.39 o
10 13 0 403.31 380.87 24.19 o
-7 23 0 755.09 792.61 40.18 o
7 16 0 820.90 849.60 40.65 o
-4 23 0 994.58 1030.66 37.67 o
4 19 0 712.65 702.55 26.45 o
-12 24 0 475.10 535.66 34.66 o
12 12 0 510.46 526.58 34.61 o
-9 24 0 894.00 864.36 33.19 o
9 15 0 904.12 915.15 34.30 o
-6 24 0 627.54 606.55 27.65 o
6 18 0 662.19 626.75 18.81 o
-11 25 0 663.61 567.54 27.72 o
11 14 0 621.68 539.71 42.72 o
-8 25 0 472.68 414.13 31.46 o
8 17 0 419.66 372.82 15.53 o
-1 1 1 9989.30 11324.20 68.06 o
0 2 1 72699.50 83203.60 587.17 o
-2 3 1 19760.20 20698.90 103.25 o
-3 2 1 18081.70 18368.70 107.72 o
-4 4 1 54664.60 56190.70 524.84 o
-1 4 1 17797.70 17892.80 102.35 o
1 3 1 17122.70 16879.50 128.28 o
-3 5 1 22593.60 22407.00 135.62 o
-5 3 1 21531.20 20892.60 129.13 o
0 5 1 21344.40 20672.10 194.78 o
-5 6 1 20817.10 20359.50 158.85 o
-6 5 1 22393.00 22082.50 174.13 o
-2 6 1 24740.10 23970.90 120.29 o
2 4 1 24086.00 23553.40 142.78 o
-7 7 1 10000.40 10151.80 86.79 o
-4 7 1 18496.40 17902.30 119.67 o
-7 4 1 18119.70 17513.40 151.31 o
-1 7 1 13915.80 13801.30 112.99 o
1 6 1 12169.30 11784.90 133.10 o
-6 8 1 9475.95 9330.88 56.76 o
-8 6 1 8924.25 8686.52 103.19 o
-3 8 1 13383.10 12980.80 74.15 o
3 5 1 15596.60 15377.80 140.82 o
0 8 1 4818.54 4756.69 50.42 o
-8 9 1 4216.97 4149.12 44.70 o
-9 8 1 3630.51 3538.48 49.64 o
-5 9 1 22421.50 22110.60 215.51 o
-9 5 1 22257.70 22081.40 205.98 o
-2 9 1 20003.80 19744.40 95.04 o
2 7 1 19907.60 19507.20 177.41 o
-10 10 1 2358.28 2374.53 45.19 o
-7 10 1 4697.01 4703.78 46.34 o
-10 7 1 5196.51 5060.97 50.21 o
-4 10 1 5911.46 5843.79 73.13 o
4 6 1 6054.90 5895.25 78.81 o
-1 10 1 3036.46 3061.70 53.04 o
1 9 1 2826.97 2722.43 39.45 o
-9 11 1 23724.10 23274.80 243.34 o
-11 9 1 24505.30 24169.00 119.31 o
-6 11 1 8788.74 8633.67 105.33 o
-11 6 1 8948.67 8791.87 67.90 o
-3 11 1 5096.95 4988.23 52.99 o
3 8 1 4856.82 4800.09 51.05 o
0 11 1 18458.00 18282.70 115.15 o
-11 12 1 2394.59 2486.05 50.30 o
-12 11 1 2038.73 2001.17 39.32 o
-8 12 1 6167.71 6250.73 77.80 o
-12 8 1 4979.22 4907.64 55.65 o
-5 12 1 4783.78 4848.90 103.14 o
5 7 1 5373.06 5368.13 68.27 o
-2 12 1 3527.07 3573.35 48.42 o
2 10 1 2642.66 2614.71 43.61 o
-13 13 1 3877.99 3884.98 57.81 o
-10 13 1 3246.97 3346.65 65.86 o
-13 10 1 3241.11 3257.21 64.09 o
-7 13 1 3915.11 3902.34 57.60 o
-13 7 1 4540.16 4527.32 55.45 o
-4 13 1 10208.40 10242.80 117.37 o
4 9 1 10468.90 10215.60 84.89 o
-1 13 1 2912.90 3000.59 48.93 o
1 12 1 3369.77 3362.27 58.24 o
-12 14 1 2402.78 2460.26 62.85 o
-14 12 1 2025.03 1989.58 41.80 o
-9 14 1 3431.62 3389.58 83.74 o
-14 9 1 3573.56 3548.12 52.19 o
-6 14 1 7654.30 7557.95 97.28 o
6 8 1 6693.04 6546.87 73.06 o
-3 14 1 2772.50 2818.67 60.76 o
3 11 1 2722.23 2704.39 47.59 o
0 14 1 1446.39 1420.69 40.49 o
-14 15 1 3634.86 3725.18 64.21 o
-15 14 1 4388.86 4519.81 70.33 o
-11 15 1 6195.63 6309.43 120.11 o
-15 11 1 6101.17 6054.56 68.82 o
-8 15 1 2571.56 2572.94 69.60 o
-15 8 1 3235.01 3215.44 55.21 o
-5 15 1 2815.41 2845.16 102.67 o
5 10 1 3546.94 3522.60 55.24 o
-2 15 1 3667.08 3566.98 80.78 o
2 13 1 3484.62 3409.50 57.44 o
-16 16 1 3268.76 3241.38 50.69 o
-13 16 1 3002.77 3021.47 40.68 o
-16 13 1 2909.40 2811.95 47.37 o
-10 16 1 2134.80 2136.27 73.16 o
-16 10 1 2085.64 2049.66 43.17 o
-7 16 1 4969.19 5004.76 111.23 o
7 9 1 4846.33 4782.07 57.28 o
-4 16 1 2599.96 2518.50 104.45 o
4 12 1 2769.07 2741.83 67.74 o
-1 16 1 2300.88 2334.54 40.05 o
1 15 1 1766.52 1803.73 37.56 o
-15 17 1 1774.54 1772.53 36.06 o
-17 15 1 1613.50 1563.29 38.71 o
-12 17 1 2081.59 2192.05 40.84 o
-17 12 1 2837.79 3017.47 49.70 o
-9 17 1 1498.39 1444.71 27.25 o
-17 9 1 1495.82 1510.76 35.16 o
-6 17 1 2023.03 1929.92 36.94 o
6 11 1 2085.74 2140.85 58.00 o
-3 17 1 1550.51 1598.64 35.05 o
3 14 1 1901.10 1975.11 37.24 o
0 17 1 1007.24 1035.62 31.93 o
-17 18 1 755.53 762.89 25.99 o
-18 17 1 541.66 533.66 28.63 o
-14 18 1 2133.03 2146.51 47.14 o
-18 14 1 2082.41 2100.17 45.66 o
-11 18 1 5851.29 5845.45 69.77 o
-18 11 1 5873.03 5862.48 68.48 o
-8 18 1 1086.46 1075.80 28.81 o
8 10 1 781.40 809.61 28.21 o
-5 18 1 3701.74 3601.74 53.84 o
5 13 1 3656.96 3605.41 56.74 o
-2 18 1 3770.34 3756.47 60.74 o
2 16 1 3858.20 3984.53 48.21 o
-19 19 1 141.49 164.95 19.50 o
-16 19 1 752.07 767.99 28.05 o
-19 16 1 646.29 675.31 26.03 o
-13 19 1 1216.53 1207.54 40.14 o
-19 13 1 903.78 923.72 34.48 o
-10 19 1 680.21 705.52 25.89 o
-19 10 1 494.20 488.80 24.49 o
-7 19 1 820.03 903.33 32.47 o
7 12 1 1087.45 1123.73 35.41 o
-4 19 1 1409.66 1427.59 39.83 o
4 15 1 1026.32 1059.90 30.60 o
-1 19 1 383.72 434.21 26.58 o
1 18 1 406.41 392.60 22.12 o
-18 20 1 2890.46 3005.03 78.88 o
-20 18 1 2972.75 3032.28 43.79 o
-15 20 1 1254.35 1342.07 46.66 o
-20 15 1 1253.73 1277.69 36.69 o
-12 20 1 452.55 454.38 36.93 o
-20 12 1 438.90 431.59 23.50 o
-9 20 1 4150.60 4242.65 58.93 o
9 11 1 4400.12 4519.90 74.18 o
-6 20 1 656.85 686.48 31.90 o
6 14 1 667.49 682.66 28.53 o
-3 20 1 607.83 657.34 29.14 o
3 17 1 605.51 612.28 24.34 o
0 20 1 1358.67 1383.83 35.63 o
-20 21 1 134.93 152.21 18.55 o
-21 20 1 129.25 128.35 18.62 o
-17 21 1 928.14 997.36 41.53 o
-21 17 1 732.92 750.18 30.16 o
-14 21 1 756.34 834.43 51.94 o
-21 14 1 1057.61 1132.33 28.36 o
-11 21 1 436.85 463.34 25.01 o
-21 11 1 345.31 346.31 19.56 o
-8 21 1 1272.34 1308.69 47.50 o
8 13 1 988.89 1007.38 32.93 o
-5 21 1 615.68 668.65 34.38 o
5 16 1 820.97 866.97 25.03 o
-2 21 1 422.56 449.07 25.74 o
2 19 1 291.72 292.46 22.73 o
-22 22 1 861.64 795.27 20.45 o
-19 22 1 413.01 444.90 25.86 o
-22 19 1 619.82 652.66 24.33 o
-16 22 1 762.45 813.80 48.22 o
-22 16 1 931.76 1009.30 49.09 o
-13 22 1 1719.60 1769.88 60.78 o
-22 13 1 1738.71 1727.70 33.18 o
-10 22 1 559.10 639.56 31.39 o
10 12 1 801.23 829.77 26.07 o
-7 22 1 787.91 760.64 33.80 o
7 15 1 878.17 912.75 50.29 o
-4 22 1 1878.41 1983.33 80.04 o
4 18 1 1884.05 1925.30 50.82 o
-1 22 1 279.69 289.86 19.66 o
1 21 1 427.61 418.59 20.22 o
-21 23 1 267.56 253.09 18.45 o
-23 21 1 202.13 177.31 16.90 o
-18 23 1 526.18 551.16 33.65 o
-23 18 1 624.63 623.43 27.32 o
-15 23 1 1131.04 1128.41 45.92 o
-23 15 1 919.42 909.36 66.38 o
-12 23 1 379.49 370.48 29.99 o
-23 12 1 446.85 466.78 24.49 o
-9 23 1 498.90 517.52 44.14 o
9 14 1 532.49 528.05 36.53 o
-6 23 1 587.58 561.14 33.92 o
6 17 1 544.79 574.51 30.69 o
-3 23 1 317.29 299.47 22.58 o
3 20 1 326.71 309.56 23.57 o
-20 24 1 1012.16 947.26 25.98 o
-24 20 1 973.91 862.25 36.59 o
-17 24 1 513.45 511.75 28.26 o
-24 17 1 535.93 550.84 19.56 o
-14 24 1 368.97 404.25 30.02 o
-24 14 1 492.48 523.89 20.12 o
-11 24 1 1705.03 1606.31 39.55 o
11 13 1 1670.45 1645.35 42.39 o
-8 24 1 451.05 456.62 26.02 o
8 16 1 498.76 495.94 22.75 o
-5 24 1 351.17 353.11 20.59 o
5 19 1 503.62 473.70 28.94 o
-16 25 1 1075.72 986.18 39.81 o
-25 16 1 1053.65 959.76 26.20 o
-13 25 1 423.52 357.55 24.77 o
-25 13 1 392.32 359.47 35.33 o
-10 25 1 587.42 481.29 27.06 o
10 15 1 419.23 361.72 15.43 o
7 18 1 981.13 914.72 34.21 o
0 1 2 9672.34 10346.30 62.88 o
-2 2 2 154125.00 189647.00 936.98 o
-1 3 2 18027.00 18203.00 82.90 o
1 2 2 18541.60 19002.10 113.40 o
-3 4 2 34642.70 35160.40 169.25 o
-4 3 2 37385.60 39317.00 324.64 o
0 4 2 41264.30 40017.40 255.69 o
-5 5 2 33441.20 32795.70 167.94 o
-2 5 2 24287.00 23673.30 132.47 o
2 3 2 24365.80 24235.20 129.78 o
-4 6 2 26158.00 25721.40 203.75 o
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-1 6 2 7276.39 7252.95 48.73 o
1 5 2 8655.86 8874.61 105.60 o
-6 7 2 8437.33 8306.13 57.71 o
-7 6 2 8672.97 8485.15 91.60 o
-3 7 2 18855.90 18278.20 97.67 o
3 4 2 18072.30 17618.20 111.85 o
0 7 2 68637.60 66538.00 551.60 o
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-5 8 2 8843.11 8909.57 63.62 o
-8 5 2 9060.06 9158.36 108.05 o
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4 5 2 14439.20 13865.50 108.36 o
-1 9 2 4240.44 4147.99 52.82 o
1 8 2 4457.52 4313.93 65.89 o
-9 10 2 2295.82 2293.47 42.35 o
-10 9 2 2760.53 2794.01 43.92 o
-6 10 2 7850.60 7856.42 75.24 o
-10 6 2 6360.48 6307.37 59.44 o
-3 10 2 4868.97 4907.97 55.51 o
3 7 2 5546.41 5533.43 60.39 o
0 10 2 1916.32 1882.19 32.10 o
-11 11 2 16627.30 16759.70 139.67 o
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-11 8 2 3884.35 3870.97 56.96 o
-5 11 2 8914.29 8609.22 74.40 o
5 6 2 8882.69 8683.04 101.22 o
-2 11 2 17718.00 17448.50 152.94 o
2 9 2 16935.00 16580.20 94.91 o
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-12 10 2 2911.12 2929.22 48.92 o
-7 12 2 5968.66 6037.75 91.80 o
-12 7 2 5982.80 5865.11 52.89 o
-4 12 2 3792.90 3709.21 63.65 o
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-1 12 2 2140.60 2118.17 37.40 o
1 11 2 2211.85 2202.23 51.29 o
-12 13 2 1611.92 1658.25 41.10 o
-13 12 2 1798.89 1796.12 43.73 o
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-3 13 2 2502.74 2543.55 49.65 o
3 10 2 3230.05 3286.57 50.39 o
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-14 14 2 4935.92 4886.15 70.02 o
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-14 11 2 3124.94 3098.10 57.12 o
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2 12 2 2801.30 2751.54 48.21 o
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-10 15 2 1994.64 2158.36 76.39 o
-15 10 2 2031.21 2058.86 40.99 o
-7 15 2 3113.01 3118.22 89.81 o
7 8 2 2953.94 2947.48 52.24 o
-4 15 2 4300.73 4193.44 124.94 o
4 11 2 4250.67 4119.70 55.58 o
-1 15 2 900.29 915.88 30.40 o
1 14 2 886.60 885.18 30.97 o
-15 16 2 1314.56 1326.37 35.48 o
-16 15 2 1317.13 1342.52 36.26 o
-12 16 2 2442.65 2446.02 58.02 o
-16 12 2 1907.70 1937.80 49.81 o
-9 16 2 7804.79 7903.58 162.32 o
-16 9 2 7850.99 7802.30 81.43 o
-6 16 2 2438.22 2414.93 96.02 o
6 10 2 1843.94 1839.55 40.57 o
-3 16 2 2233.04 2221.04 36.98 o
3 13 2 2044.38 2045.16 40.19 o
0 16 2 4560.89 4610.83 55.28 o
-17 17 2 873.67 904.62 30.81 o
-14 17 2 1527.88 1589.87 33.68 o
-17 14 2 1851.84 1898.20 38.49 o
-11 17 2 1900.27 1899.09 39.13 o
-17 11 2 1647.23 1627.59 38.56 o
-8 17 2 1164.84 1117.32 27.35 o
8 9 2 1350.09 1367.13 44.76 o
-5 17 2 1763.85 1806.38 39.56 o
5 12 2 1699.81 1760.71 38.75 o
-2 17 2 1612.34 1652.18 33.66 o
2 15 2 1538.07 1538.71 35.62 o
-16 18 2 3108.18 3146.01 51.55 o
-18 16 2 2983.55 3013.89 57.85 o
-13 18 2 3244.89 3225.17 49.79 o
-18 13 2 3222.80 3226.65 51.86 o
-10 18 2 814.88 834.75 31.11 o
-18 10 2 829.32 838.84 31.00 o
-7 18 2 5452.83 5434.30 63.47 o
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