#------------------------------------------------------------------------------
#$Date: 2019-11-22 08:26:23 +0200 (Fri, 22 Nov 2019) $
#$Revision: 231197 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/85/2108549.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_2108549
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   9.1842
_cell_length_b                   9.1842
_cell_length_c                   9.1842
_exptl_crystal_F_000             984.00
_reflns_d_resolution_high        0.5040
_cod_data_source_file            wf5151IIIsup5.hkl
_cod_data_source_block           III
_shelx_title                     ' x225 in Fm-3m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            586.96
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y, x, -z'
'-y, -x, -z'
'y, -x, z'
'-y, x, z'
'x, z, -y'
'-x, z, y'
'-x, -z, -y'
'x, -z, y'
'z, y, -x'
'z, -y, x'
'-z, y, x'
'-z, -y, -x'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'z, x+1/2, y+1/2'
'z, -x+1/2, -y+1/2'
'-z, -x+1/2, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z+1/2, x+1/2'
'-y, z+1/2, -x+1/2'
'y, -z+1/2, -x+1/2'
'-y, -z+1/2, x+1/2'
'y, x+1/2, -z+1/2'
'-y, -x+1/2, -z+1/2'
'y, -x+1/2, z+1/2'
'-y, x+1/2, z+1/2'
'x, z+1/2, -y+1/2'
'-x, z+1/2, y+1/2'
'-x, -z+1/2, -y+1/2'
'x, -z+1/2, y+1/2'
'z, y+1/2, -x+1/2'
'z, -y+1/2, x+1/2'
'-z, y+1/2, x+1/2'
'-z, -y+1/2, -x+1/2'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, y, -z+1/2'
'x+1/2, -y, -z+1/2'
'z+1/2, x, y+1/2'
'z+1/2, -x, -y+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, x, -y+1/2'
'y+1/2, z, x+1/2'
'-y+1/2, z, -x+1/2'
'y+1/2, -z, -x+1/2'
'-y+1/2, -z, x+1/2'
'y+1/2, x, -z+1/2'
'-y+1/2, -x, -z+1/2'
'y+1/2, -x, z+1/2'
'-y+1/2, x, z+1/2'
'x+1/2, z, -y+1/2'
'-x+1/2, z, y+1/2'
'-x+1/2, -z, -y+1/2'
'x+1/2, -z, y+1/2'
'z+1/2, y, -x+1/2'
'z+1/2, -y, x+1/2'
'-z+1/2, y, x+1/2'
'-z+1/2, -y, -x+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'z+1/2, x+1/2, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x+1/2, y'
'-z+1/2, x+1/2, -y'
'y+1/2, z+1/2, x'
'-y+1/2, z+1/2, -x'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z+1/2, x'
'y+1/2, x+1/2, -z'
'-y+1/2, -x+1/2, -z'
'y+1/2, -x+1/2, z'
'-y+1/2, x+1/2, z'
'x+1/2, z+1/2, -y'
'-x+1/2, z+1/2, y'
'-x+1/2, -z+1/2, -y'
'x+1/2, -z+1/2, y'
'z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, x'
'-z+1/2, -y+1/2, -x'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-y, -x, z'
'y, x, z'
'-y, x, -z'
'y, -x, -z'
'-x, -z, y'
'x, -z, -y'
'x, z, y'
'-x, z, -y'
'-z, -y, x'
'-z, y, -x'
'z, -y, -x'
'z, y, x'
'-x, -y+1/2, -z+1/2'
'x, y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
'-x, y+1/2, z+1/2'
'-z, -x+1/2, -y+1/2'
'-z, x+1/2, y+1/2'
'z, x+1/2, -y+1/2'
'z, -x+1/2, y+1/2'
'-y, -z+1/2, -x+1/2'
'y, -z+1/2, x+1/2'
'-y, z+1/2, x+1/2'
'y, z+1/2, -x+1/2'
'-y, -x+1/2, z+1/2'
'y, x+1/2, z+1/2'
'-y, x+1/2, -z+1/2'
'y, -x+1/2, -z+1/2'
'-x, -z+1/2, y+1/2'
'x, -z+1/2, -y+1/2'
'x, z+1/2, y+1/2'
'-x, z+1/2, -y+1/2'
'-z, -y+1/2, x+1/2'
'-z, y+1/2, -x+1/2'
'z, -y+1/2, -x+1/2'
'z, y+1/2, x+1/2'
'-x+1/2, -y, -z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y, z+1/2'
'-z+1/2, -x, -y+1/2'
'-z+1/2, x, y+1/2'
'z+1/2, x, -y+1/2'
'z+1/2, -x, y+1/2'
'-y+1/2, -z, -x+1/2'
'y+1/2, -z, x+1/2'
'-y+1/2, z, x+1/2'
'y+1/2, z, -x+1/2'
'-y+1/2, -x, z+1/2'
'y+1/2, x, z+1/2'
'-y+1/2, x, -z+1/2'
'y+1/2, -x, -z+1/2'
'-x+1/2, -z, y+1/2'
'x+1/2, -z, -y+1/2'
'x+1/2, z, y+1/2'
'-x+1/2, z, -y+1/2'
'-z+1/2, -y, x+1/2'
'-z+1/2, y, -x+1/2'
'z+1/2, -y, -x+1/2'
'z+1/2, y, x+1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'-z+1/2, -x+1/2, -y'
'-z+1/2, x+1/2, y'
'z+1/2, x+1/2, -y'
'z+1/2, -x+1/2, y'
'-y+1/2, -z+1/2, -x'
'y+1/2, -z+1/2, x'
'-y+1/2, z+1/2, x'
'y+1/2, z+1/2, -x'
'-y+1/2, -x+1/2, z'
'y+1/2, x+1/2, z'
'-y+1/2, x+1/2, -z'
'y+1/2, -x+1/2, -z'
'-x+1/2, -z+1/2, y'
'x+1/2, -z+1/2, -y'
'x+1/2, z+1/2, y'
'-x+1/2, z+1/2, -y'
'-z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, -x'
'z+1/2, y+1/2, x'
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 1 1 42840.65 41316.04 980.39 o
0 0 2 37132.98 36728.81 662.89 o
0 2 2 287266.50 282678.94 4011.75 o
2 2 2 1110.58 1194.84 40.79 o
1 1 3 13485.70 13639.26 131.88 o
1 3 3 8621.58 8404.69 94.91 o
3 3 3 11692.34 11540.37 195.81 o
0 0 4 344520.41 348109.84 5787.39 o
0 2 4 18756.13 18646.59 177.13 o
2 2 4 188943.14 189832.77 1962.49 o
0 4 4 184573.11 188842.17 2577.93 o
2 4 4 17240.48 16826.45 182.22 o
4 4 4 122223.45 122247.96 1716.98 o
1 1 5 30290.11 30296.39 256.30 o
1 3 5 17735.78 17914.73 115.62 o
3 3 5 13889.70 13707.81 119.65 o
1 5 5 17923.42 17949.40 164.09 o
3 5 5 14020.30 14462.84 111.76 o
5 5 5 9424.92 9296.27 125.66 o
0 0 6 26003.89 26148.05 413.74 o
0 2 6 131586.22 131474.41 1088.34 o
2 2 6 8402.30 8519.09 77.92 o
0 4 6 13502.53 13521.56 113.00 o
2 4 6 89172.99 89620.23 482.47 o
4 4 6 10129.98 10227.26 75.72 o
0 6 6 67935.07 67361.05 718.80 o
2 6 6 8604.34 8408.40 66.14 o
4 6 6 45773.68 45403.15 344.28 o
6 6 6 6831.45 6800.24 117.26 o
1 1 7 9321.63 9565.16 78.78 o
1 3 7 6462.43 6528.48 36.67 o
3 3 7 7129.04 7256.67 53.53 o
1 5 7 9650.63 9695.89 51.87 o
3 5 7 7110.86 6994.07 37.57 o
5 5 7 8333.26 8572.06 69.20 o
1 7 7 5303.03 5336.02 46.46 o
3 7 7 5651.68 5820.03 50.24 o
5 7 7 4536.52 4514.49 43.59 o
7 7 7 4777.41 4798.39 91.94 o
0 0 8 80411.54 81483.49 1147.93 o
0 2 8 7901.29 8018.94 59.50 o
2 2 8 55172.34 55664.20 381.59 o
0 4 8 55014.97 54989.69 385.12 o
2 4 8 8201.73 8133.97 43.71 o
4 4 8 41629.16 41691.79 311.81 o
0 6 8 7334.56 7281.82 59.81 o
2 6 8 32817.91 32514.84 181.29 o
4 6 8 6268.02 6256.19 37.70 o
6 6 8 19276.36 18934.68 175.12 o
0 8 8 20503.69 20350.00 229.34 o
2 8 8 4534.77 4496.65 48.14 o
4 8 8 16401.62 15888.95 142.96 o
6 8 8 3754.13 3695.53 56.76 o
8 8 8 6943.62 6517.79 186.80 o
1 1 9 10912.22 10840.47 81.58 o
1 3 9 8781.85 8741.20 46.12 o
3 3 9 7615.75 7477.12 56.37 o
1 5 9 8137.35 8104.18 46.25 o
3 5 9 7745.66 7869.10 45.32 o
5 5 9 5164.33 5099.43 50.41 o
1 7 9 5120.24 5157.09 35.26 o
3 7 9 3972.88 3919.77 29.04 o
5 7 9 4820.27 4912.76 37.54 o
7 7 9 2278.51 2299.30 51.33 o
1 9 9 4009.03 4097.92 55.34 o
3 9 9 4232.50 4279.76 56.11 o
5 9 9 2638.11 2712.53 58.17 o
7 9 9 2725.67 2780.05 58.36 o
9 9 9 1259.88 1370.22 68.28 o
0 0 10 11786.84 11737.99 181.29 o
0 2 10 37408.61 37563.76 275.37 o
2 2 10 7453.11 7430.29 60.65 o
0 4 10 7913.98 7831.28 63.34 o
2 4 10 27239.20 27481.16 139.16 o
4 4 10 6214.69 6217.21 54.66 o
0 6 10 20374.67 20183.77 165.30 o
2 6 10 5247.64 5233.91 34.01 o
4 6 10 14590.46 14407.83 87.69 o
6 6 10 3603.67 3615.49 55.78 o
0 8 10 4261.28 4240.79 58.07 o
2 8 10 11204.48 11282.78 84.87 o
4 8 10 3556.50 3583.51 37.50 o
6 8 10 6601.93 6509.72 77.19 o
8 8 10 2002.44 2058.82 51.69 o
0 10 10 7220.44 7456.33 136.75 o
2 10 10 2943.29 3027.97 52.73 o
4 10 10 5354.45 5220.67 69.60 o
6 10 10 1893.32 1854.85 66.81 o
8 10 10 2534.16 2357.73 68.70 o
10 10 10 961.70 801.43 94.30 o
1 1 11 5546.20 5337.37 48.17 o
1 3 11 4348.78 4154.50 28.08 o
3 3 11 4368.98 4242.58 42.71 o
1 5 11 4460.42 4339.16 29.94 o
3 5 11 3371.70 3239.53 26.46 o
5 5 11 3619.11 3560.22 52.51 o
1 7 11 2960.20 2959.56 33.18 o
3 7 11 3091.81 3149.03 34.26 o
5 7 11 2065.30 2143.79 32.76 o
7 7 11 2373.77 2403.36 56.22 o
1 9 11 2598.51 2750.44 35.44 o
3 9 11 1965.56 2026.27 30.34 o
5 9 11 2260.58 2271.46 39.37 o
7 9 11 1073.92 1121.80 31.23 o
9 9 11 1327.17 1309.12 47.43 o
1 11 11 1364.79 1455.02 40.39 o
3 11 11 1447.08 1538.26 40.65 o
5 11 11 859.14 936.48 54.10 o
7 11 11 1080.07 1050.40 58.48 o
9 11 11 438.84 516.85 53.92 o
0 0 12 15302.54 15389.71 286.26 o
0 2 12 3646.31 3512.00 41.04 o
2 2 12 11857.84 11896.22 97.70 o
0 4 12 11315.11 11521.76 100.70 o
2 4 12 3399.39 3360.49 29.82 o
4 4 12 8918.21 8980.93 98.31 o
0 6 12 3088.20 3186.89 48.21 o
2 6 12 7654.70 7778.51 61.16 o
4 6 12 2604.49 2616.00 34.75 o
6 6 12 4865.30 4988.98 101.39 o
0 8 12 5265.61 5362.41 72.56 o
2 8 12 2143.10 2243.46 31.80 o
4 8 12 4268.23 4301.81 52.91 o
6 8 12 1647.02 1703.93 32.15 o
8 8 12 2075.25 1938.99 54.20 o
0 10 12 1618.87 1693.91 42.87 o
2 10 12 2896.76 2865.17 39.97 o
4 10 12 1342.51 1295.92 30.31 o
6 10 12 1821.98 1711.26 41.94 o
8 10 12 790.99 722.61 36.64 o
0 12 12 1519.66 1501.96 70.34 o
2 12 12 877.12 833.24 43.68 o
4 12 12 1238.19 1158.85 54.15 o
6 12 12 643.59 622.99 61.72 o
1 1 13 3172.83 3013.21 49.17 o
1 3 13 2885.35 2719.76 32.08 o
3 3 13 2583.06 2536.51 45.14 o
1 5 13 2621.19 2625.03 32.60 o
3 5 13 2664.04 2665.54 34.42 o
5 5 13 1845.46 1877.11 43.39 o
1 7 13 1945.12 2010.39 29.43 o
3 7 13 1558.60 1633.57 28.64 o
5 7 13 1834.55 1884.00 32.94 o
7 7 13 919.61 966.27 49.26 o
1 9 13 1320.17 1346.06 27.58 o
3 9 13 1436.87 1449.60 30.63 o
5 9 13 898.45 948.00 33.23 o
7 9 13 990.92 907.98 36.13 o
9 9 13 404.28 395.35 60.45 o
1 11 13 902.11 933.39 32.37 o
3 11 13 690.67 726.75 30.73 o
5 11 13 807.79 750.57 37.25 o
0 0 14 3911.81 4036.26 178.65 o
0 2 14 7026.94 7196.41 96.44 o
2 2 14 3090.57 3072.17 58.86 o
0 4 14 2999.63 3044.03 52.31 o
2 4 14 5482.43 5631.58 62.55 o
4 4 14 2459.79 2485.45 54.88 o
0 6 14 4209.66 4288.81 70.63 o
2 6 14 2107.65 2156.84 34.35 o
4 6 14 3223.14 3250.66 48.42 o
6 6 14 1415.23 1423.70 48.40 o
0 8 14 1526.85 1580.60 40.87 o
2 8 14 2430.41 2482.80 42.74 o
4 8 14 1282.60 1290.11 35.92 o
6 8 14 1517.29 1422.15 39.36 o
8 8 14 666.60 705.01 68.40 o
0 10 14 1619.55 1547.05 48.38 o
2 10 14 1005.85 1019.15 33.06 o
4 10 14 1259.41 1182.27 37.10 o
6 10 14 648.79 598.82 42.56 o
1 1 15 2210.36 2102.64 47.46 o
1 3 15 1821.80 1742.47 29.86 o
3 3 15 1736.45 1698.15 43.73 o
1 5 15 1632.57 1606.63 29.92 o
3 5 15 1278.02 1250.11 30.11 o
5 5 15 1257.44 1241.75 45.21 o
1 7 15 1066.36 1027.71 30.87 o
3 7 15 1071.49 1063.36 32.36 o
5 7 15 700.43 704.17 32.72 o
7 7 15 723.38 620.62 65.87 o
1 9 15 838.91 815.04 30.05 o
3 9 15 640.41 644.42 33.33 o
5 9 15 691.10 677.96 43.19 o
0 0 16 2481.61 2580.36 106.74 o
0 2 16 1328.11 1335.83 42.93 o
2 2 16 1965.65 2049.84 50.74 o
0 4 16 1855.65 2010.86 54.63 o
2 4 16 1094.78 1104.74 28.90 o
4 4 16 1452.11 1547.70 54.31 o
0 6 16 961.57 994.40 46.50 o
2 6 16 1299.35 1355.77 34.22 o
4 6 16 762.70 765.45 32.15 o
6 6 16 848.60 901.25 60.64 o
0 8 16 955.61 955.86 51.03 o
2 8 16 639.02 661.74 36.36 o
1 1 17 688.39 567.82 40.91 o
1 3 17 627.25 595.32 30.40 o
3 3 17 548.48 525.49 41.60 o
1 5 17 562.02 518.16 31.92 o
3 5 17 559.46 450.06 39.62 o
0 0 18 786.40 944.17 148.16 o
0 2 18 867.68 1124.30 70.98 o
2 2 18 669.61 707.20 62.92 o