#------------------------------------------------------------------------------
#$Date: 2021-07-28 08:20:42 +0300 (Wed, 28 Jul 2021) $
#$Revision: 267781 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/88/2108841.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_2108841
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.3282
_cell_length_b                   5.3282
_cell_length_c                   10.3363(2)
_exptl_crystal_F_000             256
_reflns_d_resolution_high        0.5677
_cod_data_source_file            ra5097familysup2.hkl
_cod_data_source_block           family
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            127.19
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-y, x, z'
'y, -x, z'
'y, x, -z'
'-y, -x, -z'
'x, -y, -z'
'-x, y, -z'
'-x, -y, -z'
'x, y, -z'
'y, -x, -z'
'-y, x, -z'
'-y, -x, z'
'y, x, z'
'-x, y, z'
'x, -y, z'
'x, y+1/2, z+1/2'
'-x, -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, -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, -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, z+1/2'
'-x, y+1/2, z+1/2'
'x, -y+1/2, z+1/2'
'x+1/2, y, z+1/2'
'-x+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, -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, -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, z+1/2'
'-x+1/2, y, z+1/2'
'x+1/2, -y, z+1/2'
'x+1/2, y+1/2, z'
'-x+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, -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, -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, z'
'-x+1/2, y+1/2, z'
'x+1/2, -y+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
0 2 0 14237.80 14150.10 381.27 o
2 2 0 16062.00 16177.80 303.98 o
0 4 0 6218.51 6535.96 109.90 o
2 4 0 7253.01 7420.83 80.85 o
4 4 0 3926.74 3950.65 69.37 o
0 6 0 4659.97 4854.72 85.57 o
2 6 0 2118.12 2167.80 31.63 o
4 6 0 1471.20 1471.08 25.31 o
0 8 0 993.22 1033.19 23.96 o
2 8 0 1285.26 1249.89 26.18 o
1 1 1 12728.80 10760.40 532.86 o
1 3 1 11009.30 11306.60 73.22 o
3 3 1 2693.43 2795.48 26.31 o
1 5 1 3150.10 3316.74 26.47 o
3 5 1 3465.09 3455.29 36.24 o
5 5 1 1447.97 1371.60 34.97 o
1 7 1 1464.11 1464.39 15.38 o
3 7 1 1561.40 1562.91 20.01 o
5 7 1 725.02 717.32 21.33 o
0 2 2 1868.23 1530.29 21.88 o
2 2 2 4755.07 4895.65 40.28 o
0 4 2 1968.25 1948.87 22.90 o
2 4 2 3132.73 3326.50 20.00 o
4 4 2 1986.97 2022.64 24.84 o
0 6 2 2702.93 2758.80 35.81 o
2 6 2 1043.75 1039.66 10.51 o
4 6 2 811.59 799.17 10.86 o
0 8 2 585.28 595.59 10.42 o
2 8 2 840.31 818.57 12.64 o
1 3 3 4619.62 4591.37 32.44 o
3 3 3 980.25 996.06 10.67 o
1 5 3 1609.08 1600.49 14.98 o
3 5 3 2100.80 2110.96 21.99 o
5 5 3 915.89 934.68 17.80 o
1 7 3 927.86 935.62 9.96 o
3 7 3 1073.91 1084.24 13.61 o
5 7 3 508.18 520.92 16.07 o
0 2 4 5464.60 5674.18 42.84 o
2 2 4 7483.25 7803.39 58.59 o
0 4 4 3302.21 3449.13 40.09 o
2 4 4 4165.32 4197.28 32.76 o
4 4 4 2491.88 2481.05 31.52 o
0 6 4 3082.80 3100.16 41.08 o
2 6 4 1382.00 1386.10 13.58 o
4 6 4 1016.03 991.30 12.61 o
0 8 4 714.54 724.90 14.70 o
2 8 4 946.44 920.91 16.47 o
1 1 5 11459.30 11601.40 98.78 o
1 3 5 9318.50 9523.52 51.02 o
3 3 5 3078.24 3127.93 29.46 o
1 5 5 3087.34 3167.81 24.78 o
3 5 5 3147.17 3156.19 29.19 o
5 5 5 1409.82 1405.96 22.03 o
1 7 5 1422.78 1420.44 14.83 o
3 7 5 1449.66 1437.59 18.27 o
0 0 6 14833.50 14143.00 268.04 o
0 2 6 5292.94 5519.41 42.93 o
2 2 6 6355.39 6490.98 52.31 o
0 4 6 3108.78 3110.45 32.83 o
2 4 6 3653.08 3801.31 24.69 o
4 4 6 2242.50 2249.67 28.34 o
0 6 6 2672.98 2676.86 34.02 o
2 6 6 1309.19 1294.89 13.24 o
4 6 6 961.63 952.51 11.28 o
0 8 6 681.35 664.93 13.41 o
2 8 6 864.96 819.64 28.32 o
1 1 7 2520.96 2338.11 25.38 o
1 3 7 3034.47 3030.71 19.36 o
3 3 7 991.04 993.63 10.06 o
1 5 7 1244.84 1251.63 11.06 o
3 5 7 1476.97 1474.33 14.57 o
5 5 7 719.49 743.21 11.83 o
1 7 7 727.09 722.56 8.10 o
3 7 7 803.72 807.82 12.03 o
5 7 7 415.19 402.44 25.14 o
0 0 8 3859.69 3916.08 63.51 o
0 2 8 1334.20 1305.76 12.45 o
2 2 8 1999.09 1972.14 17.87 o
0 4 8 1079.28 1060.43 11.47 o
2 4 8 1444.21 1422.94 11.73 o
4 4 8 1014.55 1040.95 13.37 o
0 6 8 1305.11 1282.71 17.37 o
2 6 8 612.20 616.94 6.93 o
4 6 8 496.77 501.27 7.26 o
0 8 8 379.25 374.89 22.67 o
2 8 8 503.03 478.11 28.40 o
1 1 9 2792.98 2721.22 25.46 o
1 3 9 2756.95 2718.85 19.48 o
3 3 9 1145.10 1107.99 12.42 o
1 5 9 1230.60 1230.54 11.02 o
3 5 9 1330.80 1290.14 13.74 o
5 5 9 689.42 689.26 16.91 o
1 7 9 695.18 680.11 9.94 o
3 7 9 725.56 683.85 27.19 o
0 0 10 5599.29 5458.94 92.03 o
0 2 10 2988.70 3023.32 25.15 o
2 2 10 3206.89 3129.73 30.09 o
0 4 10 1915.54 1871.62 20.50 o
2 4 10 2079.64 2097.20 14.97 o
4 4 10 1390.79 1385.22 21.36 o
0 6 10 1559.31 1560.24 21.53 o
2 6 10 908.52 891.79 10.13 o
4 6 10 682.08 652.52 18.47 o
1 1 11 2453.95 2397.70 22.37 o
1 3 11 2251.86 2248.67 15.26 o
3 3 11 1118.43 1111.51 11.81 o
1 5 11 1105.01 1111.25 9.79 o
3 5 11 1119.80 1107.52 11.40 o
5 5 11 615.27 612.86 24.54 o
1 7 11 619.26 576.66 23.64 o
0 0 12 1722.68 1697.28 29.04 o
0 2 12 931.50 914.65 9.26 o
2 2 12 1093.81 1105.93 10.18 o
0 4 12 705.52 726.61 7.25 o
2 4 12 817.45 822.36 6.89 o
4 4 12 606.71 628.78 13.14 o
0 6 12 708.84 706.32 14.05 o
2 6 12 416.67 395.59 13.97 o
1 1 13 647.08 636.77 6.18 o
1 3 13 701.06 707.44 5.08 o
3 3 13 359.66 367.10 4.59 o
1 5 13 403.78 423.04 4.49 o
3 5 13 451.47 441.64 11.19 o
0 0 14 1155.10 1105.69 19.98 o
0 2 14 719.39 727.83 6.64 o
2 2 14 792.44 786.95 7.94 o
0 4 14 549.76 553.04 6.70 o
2 4 14 603.18 613.53 6.94 o
4 4 14 456.56 467.41 19.50 o
0 6 14 507.74 521.62 21.52 o
1 1 15 1009.83 988.96 10.07 o
1 3 15 921.53 927.32 7.77 o
3 3 15 569.42 576.78 14.28 o
1 5 15 537.36 528.88 15.44 o
0 0 16 969.33 992.52 20.23 o
0 2 16 685.70 695.11 7.81 o
2 2 16 702.08 732.01 16.02 o
0 4 16 512.94 529.44 21.50 o
2 4 16 526.34 521.64 17.57 o
1 3 17 354.58 390.62 13.49 o