#------------------------------------------------------------------------------
#$Date: 2025-02-09 20:01:10 +0200 (Sun, 09 Feb 2025) $
#$Revision: 297647 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/33/2023383.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_2023383
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.8266
_cell_length_b                   4.8266
_cell_length_c                   4.8266
_exptl_crystal_F_000             118.00
_reflns_d_resolution_high        0.5941
_cod_data_source_file            dk5032Ca3SnO_295Ksup2.hkl
_cod_data_source_block           Ca3SnO_295K
_shelx_title                     ' tak15_0m in Pm-3m Ca3SnO at 295K'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            84.68
_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, -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'
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 0 1 433.71 467.58 5.13 o
0 1 1 1076.26 1130.60 8.75 o
1 1 1 6093.51 6101.82 106.07 o
0 0 2 7171.52 6928.07 117.29 o
0 1 2 337.60 329.45 1.94 o
1 1 2 743.06 751.51 4.31 o
0 2 2 4879.67 4793.73 49.34 o
1 2 2 279.68 284.49 1.59 o
2 2 2 3577.43 3560.72 39.46 o
0 0 3 301.15 311.95 3.48 o
0 1 3 537.39 542.16 3.08 o
1 1 3 3078.95 3095.03 17.65 o
0 2 3 249.63 251.47 1.46 o
1 2 3 427.69 428.37 1.78 o
2 2 3 207.11 211.65 1.25 o
0 3 3 332.10 333.00 2.81 o
1 3 3 1913.79 1932.95 11.41 o
2 3 3 276.19 280.81 1.74 o
3 3 3 1326.11 1351.92 15.77 o
0 0 4 2759.76 2720.73 33.74 o
0 1 4 193.63 194.69 1.20 o
1 1 4 366.25 365.91 2.25 o
0 2 4 2208.74 2208.75 13.05 o
1 2 4 161.34 162.04 0.73 o
2 2 4 1817.51 1828.48 11.15 o
0 3 4 143.99 143.34 0.99 o
1 3 4 245.05 243.41 1.14 o
2 3 4 121.47 122.72 0.62 o
3 3 4 174.16 173.35 1.28 o
0 4 4 1303.61 1296.10 11.97 o
1 4 4 96.92 96.95 0.75 o
2 4 4 1125.57 1127.01 7.65 o
3 4 4 76.91 78.83 0.71 o
4 4 4 758.26 765.27 9.65 o
0 0 5 163.24 157.72 2.35 o
0 1 5 221.84 213.79 1.48 o
1 1 5 1327.30 1299.05 8.58 o
0 2 5 137.65 137.25 0.94 o
1 2 5 190.36 186.61 0.91 o
2 2 5 117.17 115.62 0.92 o
0 3 5 157.59 156.87 1.16 o
1 3 5 978.15 967.66 4.61 o
2 3 5 138.69 139.18 0.75 o
3 3 5 746.52 747.99 5.50 o
0 4 5 87.13 86.22 0.74 o
1 4 5 129.45 129.60 0.74 o
2 4 5 76.11 75.85 0.50 o
3 4 5 99.87 101.53 0.70 o
4 4 5 52.60 55.63 0.65 o
0 5 5 90.44 90.03 1.43 o
1 5 5 581.87 587.26 4.59 o
2 5 5 82.25 83.39 0.81 o
3 5 5 458.64 480.22 3.91 o
4 5 5 63.43 65.21 1.51 o
0 0 6 1127.43 1066.73 14.54 o
0 1 6 82.78 80.27 0.75 o
1 1 6 168.57 163.60 1.27 o
0 2 6 982.10 950.05 6.95 o
1 2 6 71.76 70.07 0.46 o
2 2 6 861.27 846.88 6.36 o
0 3 6 66.82 65.61 0.88 o
1 3 6 127.90 125.88 0.79 o
2 3 6 58.80 57.79 0.44 o
3 3 6 99.87 100.86 1.05 o
0 4 6 672.16 674.81 5.28 o
1 4 6 48.85 48.84 0.39 o
2 4 6 596.72 608.95 3.76 o
3 4 6 41.39 42.41 0.45 o
0 5 6 46.72 47.22 0.58 o
1 5 6 79.39 80.88 0.63 o
2 5 6 41.87 43.12 0.52 o
0 0 7 80.01 76.69 1.53 o
0 1 7 89.80 86.79 0.75 o
1 1 7 583.47 568.26 4.16 o
0 2 7 70.71 69.56 0.71 o
1 2 7 81.69 79.95 0.57 o
2 2 7 62.79 61.18 0.81 o
0 3 7 71.16 70.42 0.79 o
1 3 7 459.88 464.68 2.87 o
2 3 7 65.33 65.53 0.57 o
0 4 7 50.01 50.24 1.08 o
1 4 7 63.02 68.94 1.15 o
0 0 8 476.07 473.40 7.28 o
0 1 8 34.29 33.32 0.65 o
1 1 8 83.47 87.31 2.03 o