#------------------------------------------------------------------------------
#$Date: 2025-02-09 20:08:49 +0200 (Sun, 09 Feb 2025) $
#$Revision: 297650 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/33/2023386.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_2023386
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.4440
_cell_length_b                   5.4440
_cell_length_c                   5.4440
_exptl_crystal_F_000             226.00
_reflns_d_resolution_high        0.5940
_cod_data_source_file            dk5032Ba3SnO_295Ksup5.hkl
_cod_data_source_block           Ba3SnO_295K
_shelx_title                     ' tak13_0m in Pm-3m Ba3SnO at 295K'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            172.41
_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 1 130.99 138.44 2.62 o
0 1 1 3.57 13.40 0.38 o
1 1 1 28571.31 28915.51 346.75 o
0 0 2 29724.99 30658.41 588.68 o
0 1 2 83.76 94.13 0.75 o
1 1 2 13.53 16.60 0.32 o
0 2 2 21008.72 21464.62 143.10 o
1 2 2 58.84 60.45 0.71 o
2 2 2 15712.50 15805.54 129.20 o
0 0 3 3.59 3.05 0.55 o
0 1 3 0.84 1.68 0.17 o
1 1 3 15020.12 15142.39 74.77 o
0 2 3 3.33 3.30 0.21 o
1 2 3 2.28 2.79 0.17 o
2 2 3 3.48 3.21 0.25 o
0 3 3 2.54 3.24 0.46 o
1 3 3 9215.94 9223.41 44.02 o
2 3 3 0.38 0.41 0.20 o
3 3 3 6004.51 6116.11 51.39 o
0 0 4 12221.71 11788.20 137.64 o
0 1 4 41.49 42.35 0.78 o
1 1 4 51.71 54.00 0.84 o
0 2 4 9662.34 9666.00 47.35 o
1 2 4 35.21 36.32 0.52 o
2 2 4 7751.14 7764.61 38.34 o
0 3 4 4.64 4.26 0.31 o
1 3 4 24.33 25.00 0.44 o
2 3 4 4.42 4.36 0.24 o
3 3 4 13.07 14.07 0.56 o
0 4 4 5162.16 5157.40 35.73 o
1 4 4 23.17 24.42 0.68 o
2 4 4 4248.07 4278.36 22.16 o
3 4 4 3.55 3.25 0.41 o
4 4 4 2456.62 2534.75 26.68 o
0 0 5 27.38 28.82 2.08 o
0 1 5 5.31 5.04 0.47 o
1 1 5 6071.53 5749.96 34.56 o
0 2 5 19.77 20.60 0.82 o
1 2 5 0.82 1.29 0.25 o
2 2 5 14.55 15.95 0.84 o
0 3 5 4.47 4.03 0.47 o
1 3 5 4080.47 3988.89 17.22 o
2 3 5 0.76 1.12 0.26 o
3 3 5 2802.62 2823.71 16.95 o
0 4 5 7.66 7.76 0.58 o
1 4 5 6.64 5.82 0.37 o
2 4 5 6.04 5.85 0.40 o
3 4 5 4.78 3.83 0.39 o
4 4 5 3.11 2.40 0.60 o
0 5 5 2.34 2.45 0.87 o
1 5 5 1978.22 2011.10 15.75 o
2 5 5 0.40 0.95 0.55 o
3 5 5 1402.31 1428.03 11.86 o
4 5 5 2.83 2.79 0.84 o
5 5 5 736.17 766.62 23.35 o
0 0 6 4339.84 4012.25 49.80 o
0 1 6 25.69 24.48 0.97 o
1 1 6 93.81 90.23 1.68 o
0 2 6 3590.90 3343.06 21.12 o
1 2 6 21.05 22.12 0.67 o
2 2 6 2986.54 2828.61 18.21 o
0 3 6 5.08 4.54 0.54 o
1 3 6 61.02 58.53 1.09 o
2 3 6 4.09 3.77 0.38 o
3 3 6 41.79 44.04 1.34 o
0 4 6 2103.11 2061.38 14.86 o
1 4 6 11.63 11.84 0.62 o
2 4 6 1771.26 1764.74 9.47 o
3 4 6 2.13 2.02 0.44 o
4 4 6 1083.68 1135.68 11.07 o
0 5 6 1.65 1.51 0.70 o
1 5 6 28.11 29.26 1.11 o
2 5 6 1.49 1.32 0.52 o
3 5 6 20.87 23.41 1.22 o
4 5 6 1.08 1.38 0.77 o
0 6 6 940.41 975.06 16.28 o
1 6 6 4.60 5.86 1.14 o
2 6 6 803.40 844.87 10.34 o
3 6 6 0.79 0.79 1.10 o
0 0 7 70.89 59.63 3.05 o
0 1 7 5.26 5.29 0.60 o
1 1 7 2046.49 1875.31 12.93 o
0 2 7 57.66 59.23 1.56 o
1 2 7 1.59 1.96 0.35 o
2 2 7 47.30 47.45 1.44 o
0 3 7 2.84 2.64 0.57 o
1 3 7 1448.92 1401.69 7.24 o
2 3 7 0.72 0.93 0.37 o
3 3 7 1038.56 1052.83 8.23 o
0 4 7 31.74 34.07 1.54 o
1 4 7 1.40 0.71 0.45 o
2 4 7 26.62 26.49 0.95 o
3 4 7 1.46 1.03 0.50 o
4 4 7 15.88 14.93 1.38 o
0 5 7 0.75 -0.28 0.74 o
1 5 7 758.75 781.52 6.85 o
2 5 7 0.14 0.11 0.61 o
3 5 7 554.17 592.41 6.49 o
0 0 8 1357.98 1250.11 18.96 o
0 1 8 12.70 11.65 0.85 o
1 1 8 101.93 96.16 2.03 o
0 2 8 1153.23 1108.52 8.70 o
1 2 8 9.99 9.59 0.58 o
2 2 8 981.98 978.65 7.95 o
0 3 8 3.56 2.53 0.66 o
1 3 8 72.46 73.72 1.33 o
2 3 8 2.70 2.38 0.48 o
3 3 8 52.48 55.36 1.83 o
0 4 8 719.79 749.27 7.73 o
1 4 8 4.92 5.59 0.67 o
2 4 8 617.01 652.62 6.58 o
0 0 9 71.19 65.95 4.33 o
0 1 9 2.79 3.11 0.84 o
1 1 9 611.49 598.03 12.47 o