#------------------------------------------------------------------------------
#$Date: 2025-02-09 20:22:13 +0200 (Sun, 09 Feb 2025) $
#$Revision: 297657 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/33/2023393.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_2023393
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.7408
_cell_length_b                   4.7408
_cell_length_c                   4.7408
_exptl_crystal_F_000             82.00
_reflns_d_resolution_high        0.6172
_cod_data_source_file            dk5032Ca3SiO_500Ksup12.hkl
_cod_data_source_block           Ca3SiO_500K
_shelx_title                     ' mue84a_0m in Pm-3m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            52.52
_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 1 134.80 134.54 2.06 o
0 1 1 1.52 0.64 0.27 o
1 1 1 2072.57 2101.76 25.60 o
0 0 2 2757.97 2717.76 28.30 o
0 1 2 72.76 78.38 0.95 o
1 1 2 5.09 3.91 0.26 o
0 2 2 1603.54 1620.49 12.83 o
1 2 2 40.13 38.02 0.69 o
2 2 2 1022.36 1006.64 11.22 o
0 0 3 8.67 6.90 0.81 o
0 1 3 0.04 -0.08 0.08 o
1 1 3 775.12 783.21 5.12 o
0 2 3 5.25 4.07 0.31 o
1 2 3 1.40 0.86 0.11 o
2 2 3 3.67 3.01 0.26 o
0 3 3 0.04 0.30 0.20 o
1 3 3 371.42 374.45 3.96 o
2 3 3 0.45 0.43 0.19 o
3 3 3 198.59 200.16 6.13 o
0 0 4 709.42 690.26 10.88 o
0 1 4 18.53 19.75 0.82 o
1 1 4 17.09 16.51 0.68 o
0 2 4 500.38 509.47 4.70 o
1 2 4 13.28 12.86 0.56 o
2 2 4 363.47 368.61 4.49 o
0 3 4 3.17 2.50 0.29 o
1 3 4 7.11 6.41 0.37 o
2 3 4 2.75 2.50 0.21 o
3 3 4 3.15 2.74 0.39 o
0 4 4 206.94 208.54 4.83 o
1 4 4 7.19 6.18 0.56 o
2 4 4 157.03 158.17 3.37 o
3 4 4 2.19 2.60 0.37 o
4 4 4 72.38 73.47 4.38 o
0 0 5 2.85 2.38 0.44 o
0 1 5 0.45 0.34 0.19 o
1 1 5 210.79 202.90 3.14 o
0 2 5 1.53 1.35 0.27 o
1 2 5 0.02 0.15 0.16 o
2 2 5 0.77 1.05 0.26 o
0 3 5 0.33 0.10 0.24 o
1 3 5 117.87 114.97 2.01 o
2 3 5 0.03 -0.02 0.22 o
3 3 5 67.23 65.30 2.52 o
0 4 5 0.07 0.27 0.28 o
1 4 5 1.01 0.54 0.26 o
2 4 5 0.01 0.13 0.26 o
3 4 5 0.53 0.89 0.29 o
4 4 5 0.04 1.42 1.18 o
0 5 5 0.24 0.84 0.60 o
1 5 5 40.58 35.25 1.83 o
2 5 5 0.04 -0.04 0.47 o
0 0 6 173.84 188.92 9.60 o
0 1 6 9.26 9.39 0.68 o
1 1 6 17.40 18.22 1.24 o
0 2 6 132.43 135.95 3.27 o
1 2 6 7.35 7.28 0.40 o
2 2 6 101.40 106.27 2.71 o
0 3 6 3.33 3.30 0.48 o
1 3 6 8.92 9.35 0.51 o
2 3 6 2.73 3.04 0.32 o
3 3 6 4.79 6.30 0.79 o
0 4 6 61.16 64.95 2.72 o
1 4 6 3.96 4.21 0.43 o
2 4 6 47.27 48.07 1.62 o
0 0 7 6.06 3.53 1.53 o
0 1 7 1.35 0.90 0.50 o
1 1 7 49.29 48.00 2.78 o
0 2 7 4.03 3.88 0.73 o
1 2 7 0.59 0.67 0.37 o
2 2 7 2.68 1.50 0.95 o
0 3 7 0.65 -0.18 1.92 o
1 3 7 28.08 24.58 3.17 o