#------------------------------------------------------------------------------
#$Date: 2024-03-23 05:02:31 +0200 (Sat, 23 Mar 2024) $
#$Revision: 290607 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/31/24/2312436.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_2312436
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   5.3798
_cell_length_b                   5.3798
_cell_length_c                   17.6988
_exptl_crystal_F_000             462.00
_reflns_d_resolution_high        0.7222
_cod_data_source_file            yh5030KSrY_873K2sup3.hkl
_cod_data_source_block           KSrY_873K2
_shelx_title                     ' shelxt_b.res in R-3m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            226.65
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_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'
'-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 35466.95 33997.02 484.21 o
0 3 0 17607.29 18043.52 600.17 o
-2 4 0 25743.00 24331.01 566.38 o
-1 5 0 7116.57 7551.29 274.78 o
-3 6 0 4906.33 5129.06 82.24 o
-1 1 1 8077.62 8017.11 80.29 o
0 2 1 8094.33 8104.28 220.92 o
-2 3 1 9449.20 9422.08 95.27 o
-4 4 1 2664.92 2838.69 74.72 o
-1 4 1 2822.63 2555.32 69.10 o
-3 5 1 1106.82 1141.31 42.61 o
0 5 1 2619.64 2606.70 100.26 o
-5 6 1 1283.67 1378.37 48.00 o
-2 6 1 1303.05 1335.48 24.85 o
-4 7 1 1134.90 1257.39 38.00 o
0 1 2 248.18 259.63 9.72 o
-2 2 2 8321.21 8872.77 143.40 o
-1 3 2 121.24 127.12 4.96 o
-3 4 2 36.45 24.86 2.81 o
0 4 2 477.83 480.46 19.40 o
-5 5 2 109.88 102.34 12.34 o
-2 5 2 55.74 55.66 5.33 o
-4 6 2 23.04 29.90 8.94 o
-1 6 2 45.32 40.31 9.53 o
-3 7 2 68.42 77.06 19.65 o
0 0 3 157.19 229.56 17.26 o
-1 2 3 48.02 54.92 1.45 o
-3 3 3 939.64 1016.20 26.76 o
0 3 3 209.70 218.46 7.69 o
-2 4 3 129.89 131.71 4.29 o
-4 5 3 17.92 23.30 6.01 o
-1 5 3 445.51 486.20 13.63 o
-6 6 3 117.37 122.17 25.47 o
-3 6 3 149.55 167.44 9.35 o
-5 7 3 270.96 298.22 31.64 o
-2 7 3 16.54 26.12 28.53 o
-1 1 4 12799.02 12937.05 168.96 o
0 2 4 36996.06 37338.59 526.90 o
-2 3 4 8605.86 8013.11 108.93 o
-4 4 4 8203.03 8142.69 123.93 o
-1 4 4 5044.06 5564.44 126.32 o
-3 5 4 2959.64 2892.20 137.02 o
0 5 4 2295.98 2401.35 43.02 o
-5 6 4 1696.29 1743.64 63.91 o
-2 6 4 2889.35 3168.03 47.60 o
0 1 5 51371.00 53677.35 562.63 o
-2 2 5 26771.03 26101.18 359.76 o
-1 3 5 16182.15 15642.14 204.96 o
-3 4 5 12284.00 11305.59 238.36 o
0 4 5 9208.11 9189.17 193.21 o
-5 5 5 3446.80 3572.90 232.39 o
-2 5 5 9566.74 9316.65 209.25 o
-4 6 5 3835.19 3836.50 155.08 o
-1 6 5 2575.13 2638.87 55.23 o
-3 7 5 1566.11 1694.22 137.34 o
0 0 6 2424.75 2925.14 60.42 o
-1 2 6 4064.77 3769.82 59.35 o
-3 3 6 2715.64 2605.61 86.50 o
0 3 6 1698.81 1481.71 54.48 o
-2 4 6 80.69 77.81 3.60 o
-4 5 6 674.32 675.95 20.13 o
-1 5 6 895.14 812.39 15.39 o
-6 6 6 161.67 61.01 70.59 o
-3 6 6 502.02 465.92 14.81 o
-2 7 6 274.43 311.99 40.82 o
-1 1 7 108.62 116.08 4.89 o
0 2 7 54.85 32.86 2.66 o
-2 3 7 480.17 433.44 11.02 o
-4 4 7 4.67 9.11 5.49 o
-1 4 7 16.35 19.74 2.80 o
-3 5 7 128.99 123.73 8.27 o
0 5 7 65.93 56.06 12.53 o
-5 6 7 13.94 9.30 9.64 o
-2 6 7 10.14 7.02 7.41 o
0 1 8 483.29 532.90 13.06 o
-2 2 8 6205.36 6201.58 130.59 o
-1 3 8 255.79 291.87 5.40 o
-3 4 8 478.37 494.81 11.73 o
0 4 8 1555.71 1533.65 25.72 o
-5 5 8 178.77 202.91 15.80 o
-2 5 8 474.06 473.69 21.23 o
-4 6 8 621.17 709.86 46.87 o
-1 6 8 241.99 255.28 19.37 o
0 0 9 17918.68 21865.71 1666.44 o
-1 2 9 15171.88 14380.90 240.08 o
-3 3 9 6717.55 6667.29 227.15 o
0 3 9 11400.66 10714.86 108.92 o
-2 4 9 6490.39 6503.71 92.43 o
-4 5 9 4117.22 3839.35 187.01 o
-1 5 9 2645.46 2719.32 79.10 o
-3 6 9 2078.46 2141.42 92.68 o
0 6 9 1464.18 2179.61 153.40 o
-1 1 10 20070.15 19119.26 834.34 o
0 2 10 5169.94 5084.89 191.23 o
-2 3 10 9212.93 8716.89 121.30 o
-4 4 10 2787.75 2713.45 131.32 o
-1 4 10 6276.04 5953.99 141.62 o
-3 5 10 4406.36 4097.91 119.13 o
0 5 10 2316.87 2281.53 73.62 o
-5 6 10 1620.23 1522.76 37.01 o
-2 6 10 1477.42 1307.48 51.18 o
0 1 11 28.14 42.98 6.75 o
-2 2 11 269.48 225.44 8.46 o
-1 3 11 306.86 283.67 10.56 o
-3 4 11 98.83 98.48 4.95 o
0 4 11 100.28 77.05 11.58 o
-5 5 11 213.59 220.89 28.16 o
-2 5 11 21.04 25.52 6.65 o
-4 6 11 79.68 68.90 14.70 o
-1 6 11 178.29 149.50 27.44 o
0 0 12 1295.24 1489.59 61.94 o
-1 2 12 43.38 33.17 3.43 o
-3 3 12 35.96 20.54 3.85 o
0 3 12 33.71 27.82 6.27 o
-2 4 12 389.07 401.48 12.45 o
-4 5 12 62.53 47.44 8.65 o
-1 5 12 14.61 11.98 8.39 o
-3 6 12 43.88 34.28 13.31 o
-1 1 13 2267.25 2240.04 161.52 o
0 2 13 1599.44 1576.39 147.51 o
-2 3 13 2078.18 1849.15 41.63 o
-4 4 13 852.87 816.13 26.02 o
-1 4 13 870.85 841.92 20.05 o
-3 5 13 525.67 489.13 22.19 o
0 5 13 880.00 809.84 47.59 o
-2 6 13 527.24 660.93 50.76 o
0 1 14 9904.34 13093.89 170.97 o
-2 2 14 4480.98 4149.15 116.73 o
-1 3 14 6883.82 6781.61 157.21 o
-3 4 14 3904.30 3838.02 68.16 o
0 4 14 2182.55 2069.78 44.88 o
-2 5 14 2318.91 2288.01 96.00 o
0 0 15 4726.15 5287.19 103.95 o
-1 2 15 3094.52 3179.88 113.13 o
-3 3 15 2406.70 2299.40 106.39 o
0 3 15 1578.33 1735.55 53.95 o
-2 4 15 1798.22 1684.58 42.31 o
-1 5 15 1245.51 1281.43 40.08 o
-1 1 16 43.59 22.96 8.20 o
0 2 16 214.01 260.24 33.26 o
-2 3 16 16.74 18.30 6.26 o
-4 4 16 111.39 130.26 18.83 o
-1 4 16 10.57 7.48 9.79 o
-3 5 16 9.87 4.57 15.05 o
0 1 17 362.37 259.11 17.38 o
-2 2 17 166.61 162.40 14.69 o
-1 3 17 174.48 130.55 9.39 o
-3 4 17 197.18 149.98 10.83 o
-2 5 17 260.62 210.03 29.42 o
0 0 18 1084.40 1076.88 49.63 o
-1 2 18 1750.95 1678.85 73.60 o
-3 3 18 1347.37 1145.64 32.90 o
0 3 18 957.92 943.21 43.12 o
-2 4 18 574.11 435.95 40.81 o
-1 1 19 3255.03 4162.59 92.13 o
0 2 19 2859.32 2765.47 123.26 o
-2 3 19 1994.59 2038.15 67.44 o
-1 4 19 1577.29 1676.09 51.84 o
0 1 20 678.34 873.88 26.95 o
-2 2 20 909.73 1117.88 35.79 o
-1 3 20 387.59 516.05 31.15 o
-3 4 20 345.77 221.32 43.69 o
0 0 21 8.92 26.21 22.94 o
-1 2 21 23.20 18.90 10.21 o