#------------------------------------------------------------------------------
#$Date: 2025-02-09 20:05:04 +0200 (Sun, 09 Feb 2025) $
#$Revision: 297648 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/33/2023384.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_2023384
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.1394
_cell_length_b                   5.1394
_cell_length_c                   5.1394
_exptl_crystal_F_000             172.00
_reflns_d_resolution_high        0.5934
_cod_data_source_file            dk5032Sr3SnO_295Ksup3.hkl
_cod_data_source_block           Sr3SnO_295K
_shelx_title                     ' tak14_0m in Pm-3m Sr3SnO at 295K'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            127.24
_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 36.51 50.55 0.90 o
0 1 1 345.66 374.99 4.39 o
1 1 1 14807.68 15147.73 362.35 o
0 0 2 16190.35 16738.11 297.08 o
0 1 2 32.49 33.10 0.56 o
1 1 2 248.84 248.78 2.10 o
0 2 2 11599.71 11505.41 126.81 o
1 2 2 30.01 31.02 0.48 o
2 2 2 8820.57 8921.15 116.80 o
0 0 3 53.19 55.01 1.69 o
0 1 3 152.17 149.99 1.37 o
1 1 3 8119.23 8158.00 63.30 o
0 2 3 44.71 45.09 0.60 o
1 2 3 129.44 126.77 0.89 o
2 2 3 36.71 36.66 0.59 o
0 3 3 84.79 79.58 1.41 o
1 3 3 5239.14 5193.45 41.17 o
2 3 3 76.26 75.47 1.01 o
3 3 3 3634.57 3630.52 52.89 o
0 0 4 6978.73 7002.88 111.87 o
0 1 4 21.60 22.40 0.49 o
1 1 4 145.82 141.53 1.50 o
0 2 4 5660.75 5551.45 46.22 o
1 2 4 17.83 18.47 0.39 o
2 2 4 4676.16 4656.97 38.22 o
0 3 4 24.16 24.20 0.67 o
1 3 4 91.01 87.65 0.85 o
2 3 4 20.10 21.72 0.58 o
3 3 4 62.17 64.07 1.26 o
0 4 4 3310.92 3204.69 39.31 o
1 4 4 10.55 11.52 0.68 o
2 4 4 2818.34 2780.93 25.79 o
3 4 4 12.95 13.31 0.97 o
4 4 4 1794.53 1813.03 32.39 o
0 0 5 53.71 55.65 1.88 o
0 1 5 51.31 52.74 0.89 o
1 1 5 3644.12 3639.98 30.85 o
0 2 5 44.34 41.91 0.88 o
1 2 5 48.74 48.71 0.73 o
2 2 5 37.18 36.85 0.96 o
0 3 5 35.28 34.92 0.89 o
1 3 5 2623.20 2566.07 16.31 o
2 3 5 35.11 36.20 0.73 o
3 3 5 1929.80 1899.92 19.06 o
0 4 5 27.20 26.14 0.96 o
1 4 5 45.29 44.48 0.84 o
2 4 5 23.93 24.40 0.75 o
3 4 5 35.69 35.49 0.93 o
4 4 5 17.34 18.37 1.35 o
0 5 5 21.50 20.88 1.59 o
1 5 5 1444.28 1415.71 14.40 o
2 5 5 22.45 21.55 1.23 o
3 5 5 1090.24 1098.14 12.06 o
4 5 5 24.53 25.66 1.60 o
0 0 6 2832.43 2798.14 52.68 o
0 1 6 8.73 7.90 0.71 o
1 1 6 92.41 90.72 1.54 o
0 2 6 2424.90 2376.49 22.06 o
1 2 6 7.92 7.85 0.58 o
2 2 6 2085.78 2074.70 20.23 o
0 3 6 11.08 11.13 0.88 o
1 3 6 69.12 69.73 1.10 o
2 3 6 10.20 9.27 0.72 o
3 3 6 54.00 54.25 1.58 o
0 4 6 1562.37 1524.00 15.76 o
1 4 6 6.51 4.84 0.72 o
2 4 6 1357.69 1342.63 10.32 o
3 4 6 8.40 6.84 0.87 o
4 4 6 905.14 930.66 11.59 o
0 5 6 15.34 13.54 1.25 o
1 5 6 43.04 43.05 1.10 o
2 5 6 14.16 14.34 0.95 o
3 5 6 35.42 36.62 1.23 o
0 6 6 797.29 801.56 16.40 o
1 6 6 5.35 2.66 1.65 o
0 0 7 47.45 46.04 3.49 o
0 1 7 20.28 21.60 1.20 o
1 1 7 1455.77 1441.55 15.42 o
0 2 7 41.77 41.04 1.37 o
1 2 7 21.29 21.85 0.85 o
2 2 7 37.05 36.28 1.37 o
0 3 7 17.53 15.36 1.18 o
1 3 7 1098.69 1106.77 8.52 o
2 3 7 18.47 20.12 0.96 o
3 3 7 836.72 855.02 10.13 o
0 4 7 29.48 30.54 1.48 o
1 4 7 23.55 24.00 1.06 o
2 4 7 26.57 27.10 1.17 o
3 4 7 20.33 22.62 1.57 o
0 5 7 13.83 13.43 2.12 o
1 5 7 643.60 664.31 11.08 o
0 0 8 1049.52 1043.77 31.67 o
0 1 8 5.09 5.71 1.32 o
1 1 8 67.69 70.06 2.03 o
0 2 8 918.36 938.17 12.13 o
1 2 8 5.00 5.34 0.95 o
2 2 8 805.19 836.85 10.23 o
0 3 8 6.45 5.06 1.58 o
1 3 8 54.25 55.48 1.98 o