#------------------------------------------------------------------------------
#$Date: 2016-04-06 15:35:39 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181862 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/1/50/16/1501633.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_1501633
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   9.0047
_cell_length_b                   9.0047
_cell_length_c                   6.6474
_exptl_crystal_F_000             615.79
_reflns_d_resolution_high        0.8691
_cod_data_source_file            sc423.fcf
_cod_data_source_block           sc423
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' SCB 423K I4/mcm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            302.41
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x, z'
'-x, -y, z'
'y, -x, z'
'-x, y, z+1/2'
'y, x, z+1/2'
'x, -y, z+1/2'
'-y, -x, z+1/2'
'x+1/2, y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x+1/2, y+1/2, z+1'
'y+1/2, x+1/2, z+1'
'x+1/2, -y+1/2, z+1'
'-y+1/2, -x+1/2, z+1'
'-x, -y, -z'
'y, -x, -z'
'x, y, -z'
'-y, x, -z'
'x, -y, -z-1/2'
'-y, -x, -z-1/2'
'-x, y, -z-1/2'
'y, x, -z-1/2'
'-x+1/2, -y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-y+1/2, -x+1/2, -z'
'-x+1/2, y+1/2, -z'
'y+1/2, x+1/2, -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 1 0 53.15 119.83 21.12 o
0 2 0 11005.30 11613.72 216.41 o
2 2 0 25817.55 27836.17 191.79 o
1 3 0 26362.14 26274.63 259.55 o
3 3 0 11989.43 12571.75 186.70 o
0 4 0 20266.21 20399.22 533.60 o
2 4 0 6953.49 6876.18 56.71 o
4 4 0 71778.93 76001.98 1053.26 o
1 5 0 56410.98 55698.72 412.69 o
3 5 0 52.67 62.55 13.06 o
5 5 0 4589.93 4586.40 64.46 o
0 6 0 2559.26 2753.16 33.57 o
2 6 0 2477.43 2488.44 17.88 o
4 6 0 13208.21 13207.13 86.27 o
6 6 0 13713.06 14002.39 224.63 o
1 7 0 5008.16 4804.62 107.76 o
3 7 0 3048.22 3035.70 36.11 o
5 7 0 11032.13 11290.24 92.04 o
7 7 0 2144.95 2063.54 32.88 o
0 8 0 24867.44 25026.38 300.32 o
2 8 0 7257.22 7383.72 95.79 o
4 8 0 460.38 484.85 17.13 o
6 8 0 358.06 377.70 20.51 o
1 9 0 1519.83 1422.17 20.41 o
3 9 0 18175.11 18787.08 249.68 o
5 9 0 17816.93 16865.32 228.83 o
0 10 0 14202.33 14057.89 342.23 o
2 10 0 4225.91 3957.23 80.65 o
1 2 1 10069.74 9824.58 68.69 o
2 3 1 10352.73 9193.12 43.89 o
1 4 1 2024.04 1921.54 12.05 o
3 4 1 460.23 415.99 8.77 o
2 5 1 4007.53 3976.21 31.17 o
4 5 1 895.60 825.42 11.35 o
1 6 1 11883.90 12023.21 70.19 o
3 6 1 6356.61 6175.05 37.40 o
5 6 1 3236.98 3305.76 24.09 o
2 7 1 6509.11 6485.39 48.45 o
4 7 1 441.22 431.67 12.65 o
6 7 1 3689.56 3838.24 33.22 o
1 8 1 272.79 278.73 13.50 o
3 8 1 1717.00 1672.66 14.58 o
5 8 1 622.98 626.99 14.79 o
2 9 1 143.07 142.65 14.32 o
4 9 1 379.55 345.89 15.14 o
1 10 1 3129.49 2865.59 33.88 o
0 0 2 56133.00 56913.82 570.38 o
1 1 2 49614.95 46369.66 543.57 o
0 2 2 17028.56 16857.23 125.37 o
2 2 2 5588.05 5439.34 41.29 o
1 3 2 4134.52 4303.24 38.88 o
3 3 2 8321.19 7997.38 66.60 o
0 4 2 91449.32 88870.29 1532.03 o
2 4 2 11439.22 11281.74 82.40 o
4 4 2 5158.19 5150.57 61.76 o
1 5 2 1156.47 1207.48 12.87 o
3 5 2 23337.63 23522.49 132.95 o
5 5 2 37644.47 37792.90 281.33 o
0 6 2 11390.34 11475.16 141.57 o
2 6 2 10892.73 11062.84 64.60 o
4 6 2 1322.70 1315.74 11.93 o
6 6 2 294.60 318.39 17.36 o
1 7 2 5751.79 5803.18 51.13 o
3 7 2 6716.43 6915.32 45.37 o
5 7 2 515.56 520.67 12.91 o
7 7 2 3604.53 3612.48 36.36 o
0 8 2 215.25 232.69 20.36 o
2 8 2 2101.93 2135.85 22.89 o
4 8 2 17025.02 17030.62 141.70 o
1 9 2 20799.94 21446.86 226.43 o
3 9 2 271.23 302.59 15.71 o
0 10 2 57.07 128.41 16.55 o
1 2 3 6220.12 5908.65 38.34 o
2 3 3 7076.77 6923.93 52.49 o
1 4 3 1331.40 1451.02 15.51 o
3 4 3 362.08 392.72 12.49 o
2 5 3 2275.05 2266.52 19.22 o
4 5 3 509.75 581.76 12.40 o
1 6 3 7452.12 7348.09 55.87 o
3 6 3 3912.12 3923.22 25.92 o
5 6 3 1987.32 2034.69 18.55 o
2 7 3 4346.35 4465.71 35.32 o
4 7 3 324.04 333.21 13.28 o
6 7 3 2348.78 2357.52 22.18 o
1 8 3 183.65 221.22 14.94 o
3 8 3 1325.93 1366.21 19.56 o
5 8 3 395.50 394.26 27.65 o
2 9 3 58.30 64.93 16.69 o
0 0 4 84611.77 85277.47 1279.70 o
1 1 4 780.40 838.65 25.82 o
0 2 4 5572.71 5683.93 36.55 o
2 2 4 10627.92 10920.44 62.89 o
1 3 4 11584.56 11972.65 93.85 o
3 3 4 5924.97 6031.53 66.93 o
0 4 4 2429.10 2611.04 50.04 o
2 4 4 4439.15 4513.61 32.31 o
4 4 4 28527.12 28580.52 329.71 o
1 5 4 21300.29 21390.27 191.65 o
3 5 4 527.75 563.23 14.64 o
5 5 4 539.03 618.14 20.27 o
0 6 4 2870.75 2801.59 45.87 o
2 6 4 2247.67 2296.43 17.73 o
4 6 4 6465.68 6439.47 38.10 o
6 6 4 7172.82 7253.87 111.37 o
1 7 4 3318.80 3291.94 37.06 o
3 7 4 2112.31 2120.50 29.73 o
5 7 4 6923.72 6640.24 57.00 o
0 8 4 11732.37 11981.76 183.44 o
2 8 4 4547.20 4520.40 34.10 o
1 2 5 2200.51 2210.78 18.23 o
2 3 5 2997.49 3013.29 36.90 o
1 4 5 657.15 776.51 17.51 o
3 4 5 154.11 229.81 16.24 o
2 5 5 815.21 845.33 15.62 o
4 5 5 190.39 295.02 16.05 o
1 6 5 3235.26 3156.30 23.75 o
3 6 5 1476.17 1614.22 20.94 o
5 6 5 813.40 793.56 120.71 o
2 7 5 1866.06 1889.10 23.22 o
0 0 6 1353.42 1220.31 48.64 o
1 1 6 8854.58 8780.02 103.64 o
0 2 6 5601.09 5340.45 37.84 o
2 2 6 2548.00 2709.87 38.91 o
1 3 6 2409.82 2449.41 25.56 o
3 3 6 3452.36 3503.82 67.33 o
0 4 6 15269.98 14716.83 131.81 o
2 4 6 3931.71 3928.21 51.89 o
4 4 6 34.59 41.91 24.40 o
1 5 6 363.39 379.73 18.02 o
3 5 6 5774.27 5693.52 53.34 o
0 6 6 3124.33 3035.03 41.53 o
2 6 6 3835.91 3647.21 73.17 o
1 2 7 475.02 503.23 18.00 o
2 3 7 831.20 720.62 28.92 o
1 4 7 269.92 256.39 29.58 o