#------------------------------------------------------------------------------
#$Date: 2017-06-02 22:01:22 +0300 (Fri, 02 Jun 2017) $
#$Revision: 197160 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/3/50/00/3500067.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_3500067
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   11.8359
_cell_length_b                   11.8359
_cell_length_c                   11.8492
_exptl_crystal_F_000             744.00
_reflns_d_resolution_high        0.7732
_cod_data_source_file            AlClW6B.fcf
_cod_data_source_block           alclw6b
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'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+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'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+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-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-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-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+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
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 7127.19 5846.28 94.11 o
0 3 0 19067.99 16706.67 231.72 o
-2 4 0 12574.90 13309.84 246.48 o
-1 5 0 12.44 12.30 0.61 o
-3 6 0 87.20 91.41 1.82 o
0 6 0 738.31 644.44 6.47 o
-2 7 0 447.88 402.84 3.47 o
-4 8 0 34645.64 39723.38 389.47 o
-1 8 0 14784.91 15222.88 106.31 o
-3 9 0 44.49 47.97 1.61 o
0 9 0 48.28 50.41 3.27 o
-5 10 0 230.39 206.69 4.25 o
-2 10 0 35.89 31.08 1.64 o
-4 11 0 12821.13 13368.24 118.46 o
-1 11 0 721.36 765.03 8.61 o
-6 12 0 1387.57 1429.92 27.62 o
-3 12 0 53.52 47.95 2.13 o
0 12 0 1542.64 1562.34 23.59 o
-5 13 0 283.28 280.92 4.68 o
-2 13 0 54.66 52.26 2.20 o
-7 14 0 1895.79 1936.78 28.83 o
-4 14 0 2235.20 2270.08 27.41 o
-6 15 0 61.37 60.54 3.84 o
-2 3 1 10254.44 10512.99 203.90 o
-1 4 1 4379.18 4638.50 37.38 o
-3 5 1 41777.40 37546.79 859.69 o
-5 6 1 8683.24 8648.03 57.74 o
-2 6 1 1948.22 1772.46 11.61 o
-4 7 1 849.81 925.57 6.51 o
-1 7 1 7594.79 7526.26 49.15 o
-6 8 1 16112.04 17251.82 128.51 o
-3 8 1 14.10 12.50 0.86 o
-8 9 1 1166.24 1089.06 9.96 o
-5 9 1 639.03 615.08 5.09 o
-2 9 1 55.47 48.45 1.82 o
-7 10 1 2239.42 2252.16 20.52 o
-4 10 1 4773.57 4827.31 43.54 o
-1 10 1 11663.71 12268.50 114.89 o
-9 11 1 567.20 503.68 6.12 o
-6 11 1 117.39 123.71 2.91 o
-3 11 1 1203.85 1229.28 12.86 o
-11 12 1 3.93 4.73 1.26 o
-8 12 1 63.72 78.67 2.52 o
-5 12 1 1114.47 1132.14 13.27 o
-2 12 1 3956.14 4053.85 40.06 o
-10 13 1 954.41 954.49 10.90 o
-7 13 1 2864.09 2901.81 29.95 o
-4 13 1 65.62 58.86 2.71 o
-1 13 1 1880.70 1944.05 21.05 o
-12 14 1 3114.16 3040.73 34.14 o
-9 14 1 4457.78 4508.42 48.67 o
-6 14 1 56.63 47.39 2.39 o
-3 14 1 307.08 280.51 5.12 o
-8 15 1 53.73 46.17 2.28 o
-5 15 1 530.20 520.05 6.86 o
0 1 2 8739.66 7897.28 152.52 o
-2 2 2 16581.95 15212.10 317.98 o
-1 3 2 22434.17 18515.06 314.30 o
-3 4 2 18535.35 19599.94 326.92 o
0 4 2 2742.11 3112.83 31.97 o
-5 5 2 1806.12 1851.68 16.86 o
-2 5 2 17844.46 19247.91 146.79 o
-4 6 2 2011.10 1957.69 13.50 o
-1 6 2 30114.73 33214.91 217.11 o
-6 7 2 2702.79 2621.19 17.75 o
-3 7 2 2420.97 2324.50 16.03 o
0 7 2 4547.60 4627.08 51.55 o
-8 8 2 553.67 547.50 6.63 o
-5 8 2 1760.67 1777.68 14.05 o
-2 8 2 7184.74 7310.14 49.19 o
-7 9 2 13273.65 13548.47 101.33 o
-4 9 2 3432.03 3411.79 25.35 o
-1 9 2 1011.87 1025.55 9.87 o
-9 10 2 6133.09 6227.66 54.60 o
-6 10 2 4749.92 4778.31 41.11 o
-3 10 2 364.00 341.81 4.39 o
0 10 2 824.50 816.68 11.78 o
-11 11 2 10010.87 10517.99 139.37 o
-8 11 2 341.16 350.58 4.44 o
-5 11 2 714.08 728.21 8.26 o
-2 11 2 2384.98 2327.52 87.36 o
-10 12 2 1623.33 1608.00 15.50 o
-7 12 2 525.77 512.40 6.31 o
-4 12 2 2295.71 2320.27 22.96 o
-1 12 2 304.85 314.05 4.87 o
-12 13 2 260.18 272.25 4.48 o
-9 13 2 3940.33 3993.10 40.60 o
-6 13 2 1544.56 1558.28 18.01 o
-3 13 2 3129.65 3154.86 33.45 o
0 13 2 3051.32 2999.95 49.73 o
-11 14 2 177.12 176.27 4.01 o
-8 14 2 759.46 749.63 9.21 o
-5 14 2 1906.40 1933.45 22.55 o
-2 14 2 2235.26 2144.76 25.90 o
-7 15 2 1899.44 1851.20 19.92 o
-1 2 3 42981.17 32004.12 779.09 o
-2 4 3 1839.40 1828.83 12.63 o
-4 5 3 7184.39 7656.13 46.70 o
-1 5 3 8082.70 8227.52 50.72 o
-3 6 3 53.86 75.81 1.20 o
-5 7 3 5323.98 5664.08 36.62 o
-2 7 3 7010.22 7094.27 49.82 o
-7 8 3 1687.26 1565.33 11.47 o
-4 8 3 0.08 3.76 0.86 o
-1 8 3 745.55 676.56 5.73 o
-6 9 3 13389.69 13683.34 104.24 o
-3 9 3 10182.60 10275.76 83.32 o
-8 10 3 403.32 401.22 4.72 o
-5 10 3 6190.51 6293.51 57.90 o
-2 10 3 904.24 912.01 9.57 o
-10 11 3 40.82 44.92 1.93 o
-7 11 3 183.00 179.07 3.19 o
-4 11 3 24.14 23.59 1.88 o
-1 11 3 4.34 11.19 1.69 o
-9 12 3 2992.14 3107.82 28.66 o
-6 12 3 2520.67 2540.02 24.28 o
-3 12 3 3062.08 3167.12 32.61 o
-11 13 3 516.69 486.10 6.25 o
-8 13 3 4012.43 4192.44 40.07 o
-5 13 3 3650.79 3772.93 41.16 o
-2 13 3 651.44 655.14 8.55 o
-10 14 3 361.14 343.58 5.52 o
-7 14 3 530.46 541.70 7.29 o
-4 14 3 190.86 176.19 3.81 o
-1 1 4 470.68 433.15 4.42 o
0 2 4 858.90 900.34 8.11 o
-2 3 4 72.06 101.21 1.14 o
-4 4 4 34786.66 37244.93 959.72 o
-1 4 4 42130.96 45533.74 736.42 o
-3 5 4 5.27 7.75 0.47 o
0 5 4 13344.37 14107.89 121.38 o
-5 6 4 3273.19 3306.98 18.84 o
-2 6 4 1439.25 1493.72 9.50 o
-7 7 4 15384.65 15956.36 148.50 o
-4 7 4 14713.29 15320.68 102.15 o
-1 7 4 579.01 594.78 5.19 o
-6 8 4 260.36 241.40 2.71 o
-3 8 4 889.56 884.48 6.50 o
0 8 4 7599.98 8017.43 92.29 o
-8 9 4 510.62 473.83 5.22 o
-5 9 4 15.88 18.60 1.32 o
-2 9 4 1890.16 1778.38 15.16 o
-10 10 4 659.77 607.05 8.54 o
-7 10 4 5006.45 5132.53 43.36 o
-4 10 4 1.19 2.05 1.43 o
-1 10 4 283.00 258.21 3.72 o
-9 11 4 54.16 48.73 2.39 o
-6 11 4 960.41 929.17 9.65 o
-3 11 4 5497.17 5839.91 65.35 o
0 11 4 18815.64 20699.26 272.47 o
-11 12 4 1325.01 1256.05 12.07 o
-8 12 4 8377.29 8848.79 76.93 o
-5 12 4 1073.66 1082.69 11.24 o
-2 12 4 44.66 44.02 2.31 o
-10 13 4 147.91 139.40 3.08 o
-7 13 4 149.27 150.25 3.58 o
-4 13 4 92.92 97.39 2.82 o
-1 13 4 423.83 383.08 7.53 o
-9 14 4 35.96 37.51 2.45 o
-6 14 4 237.65 225.79 4.39 o
-3 14 4 2030.25 1948.15 21.58 o
-1 3 5 7046.23 7305.65 38.57 o
-3 4 5 1101.22 1088.01 6.30 o
-2 5 5 16719.44 17757.55 103.02 o
-4 6 5 2928.12 2864.79 18.17 o
-1 6 5 6736.81 6747.82 41.47 o
-6 7 5 5453.27 5405.25 34.75 o
-3 7 5 233.31 245.87 2.54 o
-5 8 5 42.18 29.55 1.34 o
-2 8 5 11967.44 12248.06 88.62 o
-7 9 5 13.33 15.65 1.29 o
-4 9 5 188.34 160.33 3.02 o
-1 9 5 626.76 624.66 6.50 o
-9 10 5 8211.44 8540.30 72.85 o
-6 10 5 2724.40 2610.69 23.73 o
-3 10 5 2708.13 2745.69 24.33 o
-8 11 5 834.24 844.87 8.49 o
-5 11 5 39.85 36.52 2.50 o
-2 11 5 185.79 171.51 3.72 o
-10 12 5 3466.15 3537.30 32.25 o
-7 12 5 913.12 936.05 9.94 o
-4 12 5 29.13 30.55 1.86 o
-1 12 5 7.12 6.27 1.68 o
-12 13 5 1259.74 1189.05 13.65 o
-9 13 5 49.71 42.49 2.05 o
-6 13 5 1659.03 1637.59 17.03 o
-3 13 5 710.89 693.72 9.26 o
-8 14 5 183.33 179.55 4.67 o
-5 14 5 4219.65 4277.12 49.86 o
0 0 6 73704.66 65469.62 1538.84 o
-1 2 6 2672.59 2611.84 13.50 o
-3 3 6 16.38 12.36 0.72 o
0 3 6 1303.29 1215.62 10.22 o
-2 4 6 18003.36 19313.08 104.37 o
-4 5 6 6335.82 6229.21 37.43 o
-1 5 6 1921.65 2007.96 12.81 o
-6 6 6 3515.04 3454.56 30.01 o
-3 6 6 3974.62 4055.11 26.51 o
0 6 6 1399.72 1480.67 14.52 o
-5 7 6 3341.82 3288.53 21.52 o
-2 7 6 2766.74 2809.69 18.00 o
-7 8 6 1412.44 1393.44 11.01 o
-4 8 6 5128.28 5154.28 42.43 o
-1 8 6 730.11 662.50 6.99 o
-9 9 6 2209.96 2184.20 35.66 o
-6 9 6 2760.43 2792.38 23.23 o
-3 9 6 3635.79 3662.94 29.34 o
0 9 6 2211.79 2531.15 59.98 o
-8 10 6 1502.32 1532.41 14.55 o
-5 10 6 4510.32 4556.04 38.58 o
-2 10 6 2829.34 2950.56 27.45 o
-10 11 6 619.31 593.33 6.73 o
-7 11 6 2601.35 2596.44 24.19 o
-4 11 6 1462.71 1523.28 15.32 o
-1 11 6 299.16 293.59 4.71 o
-12 12 6 183.11 163.38 5.69 o
-9 12 6 1070.13 1087.65 11.18 o
-6 12 6 5185.49 5307.90 49.06 o
-3 12 6 1314.74 1331.48 15.60 o
0 12 6 65.53 64.18 5.43 o
-11 13 6 1890.93 1796.71 21.52 o
-8 13 6 2002.79 1995.48 21.61 o
-5 13 6 3297.98 3336.18 39.37 o
-2 13 6 1365.83 1298.41 16.50 o
-7 14 6 4.51 2.86 1.66 o
-2 3 7 2643.61 2542.35 13.96 o
-1 4 7 1764.92 1753.99 11.17 o
-3 5 7 17210.63 18321.19 103.18 o
-5 6 7 4300.92 4168.52 26.43 o
-2 6 7 277.49 278.56 2.75 o
-4 7 7 332.92 306.00 3.66 o
-1 7 7 2865.40 2868.64 23.69 o
-6 8 7 5997.18 6127.19 46.59 o
-3 8 7 98.62 90.58 2.48 o
-8 9 7 1104.68 1079.42 10.27 o
-5 9 7 654.15 657.10 6.85 o
-2 9 7 18.64 24.03 1.64 o
-7 10 7 443.64 414.73 4.93 o
-4 10 7 2400.29 2487.89 22.19 o
-1 10 7 6344.25 6690.95 60.04 o
-9 11 7 629.86 632.77 6.90 o
-6 11 7 99.84 102.65 2.79 o
-3 11 7 473.84 463.34 6.59 o
-11 12 7 0.53 0.45 1.39 o
-8 12 7 55.12 65.14 2.31 o
-5 12 7 610.13 640.23 8.22 o
-2 12 7 2022.21 2068.80 25.22 o
-10 13 7 613.35 574.82 6.69 o
-7 13 7 2026.41 2001.98 20.91 o
-4 13 7 59.31 52.27 2.73 o
0 1 8 3721.42 3694.82 27.82 o
-2 2 8 70.36 58.06 1.73 o
-1 3 8 42.93 41.02 1.00 o
-3 4 8 12303.96 12545.29 70.25 o
0 4 8 8979.08 9270.11 76.81 o
-5 5 8 4273.18 4150.20 37.70 o
-2 5 8 615.18 576.15 4.27 o
-4 6 8 473.74 469.68 4.19 o
-1 6 8 2124.57 2010.38 16.06 o
-6 7 8 731.77 719.93 6.27 o
-3 7 8 7643.10 7999.73 66.69 o
0 7 8 10302.07 10910.56 120.39 o
-8 8 8 5510.04 5742.42 60.16 o
-5 8 8 877.74 867.32 8.45 o
-2 8 8 5.82 6.34 1.21 o
-7 9 8 537.24 521.63 5.71 o
-4 9 8 214.18 227.29 4.05 o
-1 9 8 696.45 700.63 7.95 o
-9 10 8 187.22 179.08 3.27 o
-6 10 8 10.80 10.87 1.39 o
-3 10 8 3492.51 3616.68 34.05 o
0 10 8 365.81 338.41 6.26 o
-11 11 8 10384.61 11047.66 219.11 o
-8 11 8 2590.65 2557.86 24.34 o
-5 11 8 431.56 424.25 5.59 o
-2 11 8 5.14 8.98 2.07 o
-10 12 8 14.84 16.14 1.42 o
-7 12 8 306.63 294.84 5.18 o
-4 12 8 4784.07 5005.09 58.20 o
-6 13 8 1.39 1.73 1.50 o
-1 2 9 8058.06 8215.32 46.76 o
-2 4 9 18.33 18.39 1.01 o
-4 5 9 1209.59 1172.66 9.20 o
-1 5 9 1857.12 1837.02 14.30 o
-3 6 9 83.73 88.04 2.30 o
-5 7 9 1268.32 1242.14 10.96 o
-2 7 9 2750.12 2743.43 22.45 o
-7 8 9 1041.15 1043.21 9.23 o
-4 8 9 0.49 0.40 1.33 o
-1 8 9 85.81 81.24 2.53 o
-6 9 9 6096.91 6375.67 52.40 o
-3 9 9 2904.44 2927.30 25.84 o
-8 10 9 124.99 129.02 2.96 o
-5 10 9 2981.80 3039.01 25.64 o
-2 10 9 730.43 753.11 8.75 o
-10 11 9 30.87 22.15 1.49 o
-7 11 9 132.63 127.86 3.23 o
-4 11 9 13.94 13.84 2.07 o
-1 11 9 4.27 6.22 1.44 o
-6 12 9 1116.69 1077.17 18.16 o
-1 1 10 2478.17 2505.93 23.99 o
0 2 10 4624.70 4632.36 45.47 o
-2 3 10 2924.54 2889.01 20.53 o
-4 4 10 3331.47 3349.19 33.50 o
-1 4 10 1312.39 1290.94 10.65 o
-3 5 10 2009.26 1933.95 15.31 o
0 5 10 0.57 -1.39 1.60 o
-5 6 10 4777.27 4797.58 56.90 o
-2 6 10 1068.93 1062.49 9.67 o
-7 7 10 842.86 808.32 10.73 o
-4 7 10 841.65 853.85 8.79 o
-1 7 10 1055.41 1092.27 10.19 o
-6 8 10 2806.17 2805.81 24.43 o
-3 8 10 435.18 440.91 5.13 o
0 8 10 215.51 238.37 5.69 o
-8 9 10 788.32 770.44 8.21 o
-5 9 10 1519.99 1522.17 13.27 o
-2 9 10 3879.35 4003.55 37.37 o
-10 10 10 187.81 173.93 5.36 o
-7 10 10 2.14 4.13 1.30 o
-4 10 10 911.48 926.78 9.82 o
-1 10 10 1770.18 1785.96 38.70 o
-6 11 10 250.43 226.61 8.10 o
-3 11 10 303.60 307.44 5.45 o
-1 3 11 2191.58 2204.87 16.73 o
-3 4 11 87.94 77.62 2.24 o
-2 5 11 2701.08 2735.08 25.07 o
-4 6 11 1193.76 1203.87 10.69 o
-1 6 11 2502.03 2549.91 21.79 o
-6 7 11 1393.56 1371.63 11.89 o
-3 7 11 7.12 10.31 1.50 o
-5 8 11 2.61 6.52 1.31 o
-2 8 11 3373.70 3495.09 31.29 o
-7 9 11 34.61 36.93 1.95 o
-4 9 11 32.38 27.97 1.61 o
-1 9 11 192.27 176.68 5.07 o
-6 10 11 573.77 540.57 8.90 o
-3 10 11 1081.74 1092.56 17.28 o
0 0 12 17565.72 18662.75 664.05 o
-1 2 12 50.09 46.90 1.87 o
-3 3 12 1993.69 1990.24 22.60 o
0 3 12 3662.96 3775.63 42.93 o
-2 4 12 260.80 260.33 3.52 o
-4 5 12 14.59 14.80 1.33 o
-1 5 12 503.64 516.78 5.49 o
-6 6 12 2.01 1.80 1.76 o
-3 6 12 101.10 104.10 2.98 o
0 6 12 304.68 319.60 6.97 o
-5 7 12 8.68 6.99 1.35 o
-2 7 12 48.12 43.42 2.95 o
-7 8 12 2276.54 2275.62 24.56 o
-4 8 12 4739.37 4828.99 45.88 o
-1 8 12 1695.26 1653.15 20.75 o
-6 9 12 3.54 2.39 1.40 o
-3 9 12 27.78 23.26 1.81 o
-2 3 13 638.67 614.08 6.30 o
-1 4 13 304.15 310.49 4.44 o
-3 5 13 3449.08 3556.37 32.53 o
-5 6 13 1235.83 1226.76 12.88 o
-2 6 13 27.58 23.98 1.80 o
-4 7 13 34.74 26.15 1.80 o
-1 7 13 528.16 517.48 7.05 o
-3 8 13 110.46 112.82 3.12 o
0 1 14 5.70 10.37 1.72 o
-2 2 14 677.33 668.89 10.77 o
-1 3 14 987.57 999.82 10.32 o
-3 4 14 216.62 207.81 4.46 o
0 4 14 240.93 224.64 5.57 o
-5 5 14 10.54 8.53 2.23 o
-2 5 14 1770.59 1859.21 50.57 o
-4 6 14 410.31 392.29 5.28 o
-1 2 15 1276.63 1252.65 13.08 o