#------------------------------------------------------------------------------
#$Date: 2025-02-09 20:10:20 +0200 (Sun, 09 Feb 2025) $
#$Revision: 297651 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/33/2023387.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_2023387
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.8402
_cell_length_b                   4.8402
_cell_length_c                   4.8402
_exptl_crystal_F_000             150.00
_reflns_d_resolution_high        0.5913
_cod_data_source_file            dk5032Ca3PbO_295Ksup6.hkl
_cod_data_source_block           Ca3PbO_295K
_shelx_title                     ' tak12_0m in Pm-3m Ca3PbO at 295K'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            111.14
_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 2507.38 2716.95 40.85 o
0 1 1 3712.66 3883.20 40.64 o
1 1 1 11076.92 10741.94 132.07 o
0 0 2 12352.04 12073.07 261.15 o
0 1 2 1963.83 2004.05 14.91 o
1 1 2 2750.80 2814.91 20.47 o
0 2 2 8854.38 8664.10 86.54 o
1 2 2 1637.38 1666.43 12.17 o
2 2 2 6775.70 6735.71 82.82 o
0 0 3 1684.47 1772.43 27.22 o
0 1 3 2149.81 2165.16 16.90 o
1 1 3 6144.28 6168.97 45.79 o
0 2 3 1423.83 1438.50 10.66 o
1 2 3 1778.61 1786.66 9.45 o
2 2 3 1214.13 1236.31 9.33 o
0 3 3 1467.98 1474.89 15.61 o
1 3 3 4068.53 4077.36 29.83 o
2 3 3 1257.46 1266.34 9.95 o
3 3 3 2944.49 2946.73 41.21 o
0 0 4 5410.94 5274.31 92.50 o
0 1 4 1183.79 1179.90 10.05 o
1 1 4 1533.62 1530.90 12.82 o
0 2 4 4455.61 4448.35 35.09 o
1 2 4 1018.34 1021.52 6.13 o
2 2 4 3753.38 3754.96 29.84 o
0 3 4 902.89 912.20 8.20 o
1 3 4 1112.88 1124.37 6.83 o
2 3 4 786.74 792.43 4.95 o
3 3 4 840.56 852.59 8.31 o
0 4 4 2788.12 2839.99 36.56 o
1 4 4 673.77 671.23 7.13 o
2 4 4 2439.06 2463.70 21.31 o
3 4 4 536.79 548.66 6.61 o
4 4 4 1689.03 1724.51 33.08 o
0 0 5 946.53 917.07 18.21 o
0 1 5 1066.28 1023.29 10.05 o
1 1 5 2946.04 2836.98 25.68 o
0 2 5 824.07 802.00 8.18 o
1 2 5 933.07 914.32 6.33 o
2 2 5 721.73 718.76 7.16 o
0 3 5 806.11 793.25 8.19 o
1 3 5 2237.24 2227.70 14.37 o
2 3 5 715.38 715.67 5.54 o
3 3 5 1743.74 1750.68 18.26 o
0 4 5 561.41 558.04 6.96 o
1 4 5 651.19 652.84 5.40 o
2 4 5 498.19 501.49 4.43 o
3 4 5 514.09 527.52 5.06 o
4 4 5 354.34 368.65 6.42 o
0 5 5 493.66 513.22 12.22 o
1 5 5 1380.03 1405.42 18.72 o
2 5 5 445.39 452.52 7.37 o
3 5 5 1101.74 1168.47 16.74 o
4 5 5 332.01 348.95 8.39 o
0 0 6 2441.47 2266.33 41.99 o
0 1 6 592.39 555.74 6.22 o
1 1 6 777.04 730.93 7.76 o
0 2 6 2149.96 2056.16 19.23 o
1 2 6 524.07 501.22 4.12 o
2 2 6 1902.68 1865.66 18.13 o
0 3 6 475.65 461.19 5.94 o
1 3 6 607.95 599.74 5.27 o
2 3 6 423.64 423.48 4.27 o
3 3 6 482.94 505.20 7.53 o
0 4 6 1506.43 1535.51 17.44 o
1 4 6 370.21 365.02 3.94 o
2 4 6 1345.51 1392.67 12.57 o
3 4 6 304.08 317.99 4.76 o
0 5 6 317.37 333.02 6.18 o
1 5 6 387.70 409.53 5.46 o
2 5 6 285.37 300.13 4.81 o
0 0 7 474.04 442.24 10.82 o
0 1 7 492.37 460.33 5.72 o
1 1 7 1382.20 1304.76 13.21 o
0 2 7 423.00 409.29 5.61 o
1 2 7 444.24 426.90 3.93 o
2 2 7 378.41 376.85 5.35 o
0 3 7 394.15 401.04 5.88 o
1 3 7 1103.45 1114.11 9.02 o
2 3 7 357.48 365.17 4.22 o
3 3 7 886.66 975.51 25.60 o
0 4 7 304.74 311.30 5.80 o
1 4 7 331.19 342.19 6.16 o
0 0 8 1082.96 1048.19 21.79 o
0 1 8 266.31 253.75 4.36 o
1 1 8 373.80 368.74 8.41 o