#------------------------------------------------------------------------------
#$Date: 2025-02-09 20:11:54 +0200 (Sun, 09 Feb 2025) $
#$Revision: 297652 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/33/2023388.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_2023388
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.1505
_cell_length_b                   5.1505
_cell_length_c                   5.1505
_exptl_crystal_F_000             204.00
_reflns_d_resolution_high        0.5908
_cod_data_source_file            dk5032Sr3PbO_295Ksup7.hkl
_cod_data_source_block           Sr3PbO_295K
_shelx_title                     ' tak11_0m in Pm-3m  Sr3PbO at 295K'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            152.82
_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 1210.08 1196.92 33.50 o
0 1 1 2141.43 2373.77 52.72 o
1 1 1 22002.00 23098.91 625.04 o
0 0 2 23354.46 21526.75 1368.40 o
0 1 2 954.83 974.51 14.45 o
1 1 2 1625.60 1784.52 27.39 o
0 2 2 16943.28 17758.84 353.16 o
1 2 2 795.41 812.16 12.99 o
2 2 2 12984.67 13444.09 339.96 o
0 0 3 917.62 944.47 27.98 o
0 1 3 1185.71 1161.24 17.67 o
1 1 3 12284.34 12311.01 187.40 o
0 2 3 764.83 764.84 11.78 o
1 2 3 1001.09 1011.12 10.90 o
2 2 3 640.24 644.34 11.17 o
0 3 3 769.72 781.10 18.84 o
1 3 3 7953.83 7920.50 116.72 o
2 3 3 671.52 640.26 11.95 o
3 3 3 5498.86 5409.93 150.82 o
0 0 4 10309.61 8568.19 332.41 o
0 1 4 559.48 569.60 9.45 o
1 1 4 954.83 967.87 15.75 o
0 2 4 8369.73 7979.57 116.66 o
1 2 4 473.13 475.86 6.28 o
2 2 4 6907.73 6868.76 106.85 o
0 3 4 455.71 448.11 9.13 o
1 3 4 656.73 651.10 9.02 o
2 3 4 389.86 387.03 6.25 o
3 3 4 474.18 456.75 10.21 o
0 4 4 4864.95 4534.86 128.44 o
1 4 4 297.60 277.44 7.57 o
2 4 4 4124.81 4011.94 67.58 o
3 4 4 253.49 247.98 7.63 o
4 4 4 2584.09 2530.03 74.65 o
0 0 5 577.84 583.32 19.32 o
0 1 5 528.94 539.13 9.86 o
1 1 5 5512.15 5472.09 85.08 o
0 2 5 491.71 495.94 10.21 o
1 2 5 473.08 472.39 6.98 o
2 2 5 421.58 411.71 9.25 o
0 3 5 385.02 377.49 10.18 o
1 3 5 3940.98 3892.28 48.69 o
2 3 5 350.31 342.65 6.22 o
3 3 5 2872.25 2827.99 50.52 o
0 4 5 314.73 304.54 9.42 o
1 4 5 351.97 346.36 7.38 o
2 4 5 274.54 266.65 6.06 o
3 4 5 269.36 263.32 5.94 o
4 4 5 185.77 191.86 7.73 o
0 5 5 222.90 219.85 12.05 o
1 5 5 2124.38 2030.77 45.64 o
2 5 5 206.41 206.94 9.15 o
3 5 5 1582.44 1556.02 33.55 o
4 5 5 163.94 165.91 8.16 o
5 5 5 899.73 850.76 42.87 o
0 0 6 4143.82 3936.43 194.82 o
0 1 6 254.43 254.14 6.23 o
1 1 6 515.48 518.91 10.86 o
0 2 6 3530.84 3469.55 63.05 o
1 2 6 222.87 226.32 4.91 o
2 2 6 3020.66 3024.92 53.56 o
0 3 6 218.81 213.99 7.57 o
1 3 6 386.22 397.36 7.93 o
2 3 6 192.82 189.75 5.19 o
3 3 6 294.92 287.98 8.93 o
0 4 6 2234.09 2279.65 48.53 o
1 4 6 153.27 157.90 5.39 o
2 4 6 1927.80 1933.73 28.93 o
3 4 6 134.01 127.69 4.97 o
4 4 6 1255.55 1237.91 32.28 o
0 5 6 162.10 175.67 8.72 o
1 5 6 227.07 237.77 7.47 o
2 5 6 143.67 140.46 5.61 o
3 5 6 177.58 169.88 6.28 o
0 6 6 1096.34 1130.30 41.91 o
1 6 6 85.80 89.78 7.77 o
2 6 6 955.07 1001.27 101.79 o
0 0 7 320.78 329.39 17.98 o
0 1 7 217.91 218.49 7.74 o
1 1 7 2139.57 2124.59 44.95 o
0 2 7 280.01 280.19 9.48 o
1 2 7 202.02 207.98 5.93 o
2 2 7 245.17 245.43 9.41 o
0 3 7 171.51 180.23 8.15 o
1 3 7 1593.39 1627.66 26.56 o
2 3 7 159.55 165.11 5.82 o
3 3 7 1195.89 1281.04 38.27 o
0 4 7 188.89 197.67 9.64 o
1 4 7 160.93 162.77 5.99 o
2 4 7 166.57 165.49 7.02 o
3 4 7 127.87 120.34 8.45 o
0 5 7 108.88 103.90 12.97 o
1 5 7 905.55 1011.06 51.43 o
0 0 8 1465.53 1481.84 114.83 o
0 1 8 103.25 108.83 9.10 o
1 1 8 262.45 280.00 11.77 o
0 2 8 1272.09 1342.29 35.73 o
1 2 8 92.59 110.61 6.07 o
2 2 8 1106.14 1215.10 39.07 o
0 3 8 91.02 93.70 7.64 o
1 3 8 203.46 195.63 9.21 o