#------------------------------------------------------------------------------
#$Date: 2020-08-22 08:04:49 +0300 (Sat, 22 Aug 2020) $
#$Revision: 255582 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/86/2108652.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_2108652
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   5.6035
_cell_length_b                   5.6035
_cell_length_c                   5.6035
_exptl_crystal_F_000             112.00
_reflns_d_resolution_high        0.3923
_cod_data_source_file            px5027Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' nacl in Fm-3m'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            84.15
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_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+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z+1/2'
'z, x+1/2, y+1/2'
'z, -x+1/2, -y+1/2'
'-z, -x+1/2, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z+1/2, x+1/2'
'-y, z+1/2, -x+1/2'
'y, -z+1/2, -x+1/2'
'-y, -z+1/2, x+1/2'
'y, x+1/2, -z+1/2'
'-y, -x+1/2, -z+1/2'
'y, -x+1/2, z+1/2'
'-y, x+1/2, z+1/2'
'x, z+1/2, -y+1/2'
'-x, z+1/2, y+1/2'
'-x, -z+1/2, -y+1/2'
'x, -z+1/2, y+1/2'
'z, y+1/2, -x+1/2'
'z, -y+1/2, x+1/2'
'-z, y+1/2, x+1/2'
'-z, -y+1/2, -x+1/2'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+1/2, y, -z+1/2'
'x+1/2, -y, -z+1/2'
'z+1/2, x, y+1/2'
'z+1/2, -x, -y+1/2'
'-z+1/2, -x, y+1/2'
'-z+1/2, x, -y+1/2'
'y+1/2, z, x+1/2'
'-y+1/2, z, -x+1/2'
'y+1/2, -z, -x+1/2'
'-y+1/2, -z, x+1/2'
'y+1/2, x, -z+1/2'
'-y+1/2, -x, -z+1/2'
'y+1/2, -x, z+1/2'
'-y+1/2, x, z+1/2'
'x+1/2, z, -y+1/2'
'-x+1/2, z, y+1/2'
'-x+1/2, -z, -y+1/2'
'x+1/2, -z, y+1/2'
'z+1/2, y, -x+1/2'
'z+1/2, -y, x+1/2'
'-z+1/2, y, x+1/2'
'-z+1/2, -y, -x+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
'z+1/2, x+1/2, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x+1/2, y'
'-z+1/2, x+1/2, -y'
'y+1/2, z+1/2, x'
'-y+1/2, z+1/2, -x'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z+1/2, x'
'y+1/2, x+1/2, -z'
'-y+1/2, -x+1/2, -z'
'y+1/2, -x+1/2, z'
'-y+1/2, x+1/2, z'
'x+1/2, z+1/2, -y'
'-x+1/2, z+1/2, y'
'-x+1/2, -z+1/2, -y'
'x+1/2, -z+1/2, y'
'z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, x'
'-z+1/2, -y+1/2, -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'
'-x, -y+1/2, -z+1/2'
'x, y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'
'-x, y+1/2, z+1/2'
'-z, -x+1/2, -y+1/2'
'-z, x+1/2, y+1/2'
'z, x+1/2, -y+1/2'
'z, -x+1/2, y+1/2'
'-y, -z+1/2, -x+1/2'
'y, -z+1/2, x+1/2'
'-y, z+1/2, x+1/2'
'y, z+1/2, -x+1/2'
'-y, -x+1/2, z+1/2'
'y, x+1/2, z+1/2'
'-y, x+1/2, -z+1/2'
'y, -x+1/2, -z+1/2'
'-x, -z+1/2, y+1/2'
'x, -z+1/2, -y+1/2'
'x, z+1/2, y+1/2'
'-x, z+1/2, -y+1/2'
'-z, -y+1/2, x+1/2'
'-z, y+1/2, -x+1/2'
'z, -y+1/2, -x+1/2'
'z, y+1/2, x+1/2'
'-x+1/2, -y, -z+1/2'
'x+1/2, y, -z+1/2'
'x+1/2, -y, z+1/2'
'-x+1/2, y, z+1/2'
'-z+1/2, -x, -y+1/2'
'-z+1/2, x, y+1/2'
'z+1/2, x, -y+1/2'
'z+1/2, -x, y+1/2'
'-y+1/2, -z, -x+1/2'
'y+1/2, -z, x+1/2'
'-y+1/2, z, x+1/2'
'y+1/2, z, -x+1/2'
'-y+1/2, -x, z+1/2'
'y+1/2, x, z+1/2'
'-y+1/2, x, -z+1/2'
'y+1/2, -x, -z+1/2'
'-x+1/2, -z, y+1/2'
'x+1/2, -z, -y+1/2'
'x+1/2, z, y+1/2'
'-x+1/2, z, -y+1/2'
'-z+1/2, -y, x+1/2'
'-z+1/2, y, -x+1/2'
'z+1/2, -y, -x+1/2'
'z+1/2, y, x+1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'-z+1/2, -x+1/2, -y'
'-z+1/2, x+1/2, y'
'z+1/2, x+1/2, -y'
'z+1/2, -x+1/2, y'
'-y+1/2, -z+1/2, -x'
'y+1/2, -z+1/2, x'
'-y+1/2, z+1/2, x'
'y+1/2, z+1/2, -x'
'-y+1/2, -x+1/2, z'
'y+1/2, x+1/2, z'
'-y+1/2, x+1/2, -z'
'y+1/2, -x+1/2, -z'
'-x+1/2, -z+1/2, y'
'x+1/2, -z+1/2, -y'
'x+1/2, z+1/2, y'
'-x+1/2, z+1/2, -y'
'-z+1/2, -y+1/2, x'
'-z+1/2, y+1/2, -x'
'z+1/2, -y+1/2, -x'
'z+1/2, y+1/2, 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 -4 3020.64 2911.23 51.35 o
0 0 4 3020.64 2946.65 51.35 o
0 0 8 630.63 591.15 6.61 o
0 0 -8 630.63 591.22 6.61 o
0 0 -8 630.63 611.36 8.27 o
0 0 8 630.63 613.99 8.27 o
0 0 12 113.39 111.16 1.25 o
0 0 -12 113.39 111.82 1.25 o
0 2 0 7080.55 6970.75 109.85 o
0 -2 0 7080.55 7177.52 108.55 o
0 -2 2 4958.82 5087.59 85.04 o
0 2 -2 4958.82 5104.39 83.99 o
0 -2 -2 4958.82 5125.39 76.64 o
0 -2 2 4958.82 5133.78 75.59 o
0 2 2 4958.82 5133.78 83.99 o
0 2 2 4958.82 5172.63 76.64 o
0 2 -2 4958.82 5184.18 75.59 o
0 -2 -2 4958.82 5282.86 86.09 o
0 2 -4 2497.93 2459.82 40.76 o
0 -2 -4 2497.92 2475.95 40.76 o
0 2 4 2497.92 2485.29 39.91 o
0 -2 4 2497.93 2492.94 40.76 o
0 2 6 1221.13 1143.68 14.75 o
0 -2 -6 1221.13 1156.10 14.75 o
0 -2 6 1221.13 1167.74 14.75 o
0 2 -6 1221.13 1175.51 15.53 o
0 -2 8 570.57 534.20 5.55 o
0 2 8 570.57 536.30 5.55 o
0 -2 -8 570.57 541.02 5.62 o
0 2 8 570.57 541.17 6.97 o
0 2 -8 570.57 543.34 5.62 o
0 -2 -8 570.57 555.18 7.12 o
0 -2 8 570.57 555.26 7.04 o
0 2 -8 570.57 560.95 7.04 o
0 -2 10 251.15 235.74 2.51 o
0 -2 -10 251.15 240.47 2.59 o
0 2 -10 251.15 240.99 2.59 o
0 2 10 251.15 242.83 2.59 o
0 2 12 105.24 101.50 1.10 o
0 -2 -12 105.24 103.85 1.10 o
0 -2 12 105.24 105.84 1.10 o
0 2 -12 105.24 106.13 1.10 o
0 -2 -14 42.46 40.71 0.44 o
0 2 -14 42.46 41.08 0.44 o
0 2 14 42.46 41.22 0.44 o
0 -2 14 42.46 41.37 0.44 o
0 -4 0 3020.64 3370.76 49.58 o
0 4 0 3020.64 3386.70 48.70 o
0 4 2 2497.92 2630.49 41.61 o
0 -4 2 2497.93 2678.89 40.76 o
0 4 -2 2497.93 2680.59 41.61 o
0 -4 -2 2497.92 2714.55 41.61 o
0 -4 4 1577.89 1589.28 19.86 o
0 4 -4 1577.89 1605.96 23.03 o
0 -4 -4 1577.89 1612.31 19.86 o
0 4 4 1577.89 1654.40 23.03 o
0 -4 6 864.38 816.25 7.61 o
0 4 -6 864.38 823.86 7.61 o
0 -4 6 864.38 829.94 9.89 o
0 4 6 864.38 855.05 8.37 o
0 4 -6 864.38 858.85 10.65 o
0 -4 -6 864.38 859.61 8.37 o
0 -4 -6 864.38 861.89 10.65 o
0 4 6 864.38 901.45 11.41 o
0 4 8 427.77 407.55 4.32 o
0 -4 -8 427.77 411.65 4.32 o
0 -4 8 427.77 423.19 4.47 o
0 4 -8 427.77 431.45 4.47 o
0 -4 -10 195.78 186.56 1.77 o
0 4 10 195.78 187.96 1.92 o
0 -4 10 195.78 188.11 1.77 o
0 4 -10 195.78 191.28 1.77 o
0 -4 -12 84.52 79.98 0.81 o
0 -4 12 84.52 80.28 0.81 o
0 4 12 84.52 81.16 0.81 o
0 4 -12 84.52 83.14 0.81 o
0 -6 0 1383.44 1508.95 18.04 o
0 6 0 1383.44 1519.93 18.04 o
0 -6 2 1221.13 1268.68 14.75 o
0 6 2 1221.13 1284.98 16.30 o
0 -6 -2 1221.13 1288.87 15.53 o
0 6 -2 1221.13 1302.84 17.08 o
0 6 4 864.38 841.35 7.61 o
0 -6 4 864.38 847.44 7.61 o
0 6 -4 864.38 849.72 7.61 o
0 -6 -4 864.38 855.81 7.61 o
0 6 4 864.38 868.74 9.89 o
0 -6 4 864.38 873.30 9.89 o
0 -6 -4 864.38 880.15 10.65 o
0 6 -4 864.38 881.67 10.65 o
0 -6 6 517.34 500.19 6.20 o
0 -6 6 517.34 501.99 5.08 o
0 6 -6 517.34 503.11 5.08 o
0 6 6 517.34 504.98 5.08 o
0 -6 -6 517.34 505.42 5.08 o
0 -6 -6 517.34 506.99 6.20 o
0 6 6 517.34 508.71 6.35 o
0 6 -6 517.34 520.97 6.43 o
0 -6 8 273.52 254.44 2.66 o
0 6 8 273.52 258.44 2.74 o
0 6 -8 273.52 259.40 2.74 o
0 -6 -8 273.52 262.36 2.74 o
0 6 10 131.95 126.53 1.18 o
0 6 -10 131.95 129.26 1.32 o
0 -6 -10 131.95 129.26 1.25 o
0 -6 10 131.95 129.40 1.25 o
0 6 12 59.45 57.09 0.66 o
0 -6 -12 59.45 57.46 0.66 o
0 -6 12 59.45 57.68 0.66 o
0 6 -12 59.45 57.68 0.66 o
0 -8 0 630.63 661.27 5.94 o
0 8 0 630.63 661.42 5.94 o
0 -8 0 630.63 663.23 7.52 o
0 8 0 630.63 677.51 8.27 o
0 -8 2 570.57 578.71 5.47 o
0 8 2 570.57 581.49 5.47 o
0 8 -2 570.57 585.98 5.55 o
0 8 2 570.57 587.41 7.04 o
0 -8 -2 570.57 587.48 5.55 o
0 8 -2 570.57 596.03 7.12 o
0 -8 2 570.57 598.27 7.12 o
0 -8 -2 570.57 604.27 7.12 o
0 8 4 427.77 422.44 4.17 o
0 -8 -4 427.77 430.26 4.24 o
0 -8 4 427.77 437.48 4.24 o
0 8 -4 427.77 447.75 4.32 o
0 -8 6 273.52 260.80 2.59 o
0 8 6 273.52 264.21 2.59 o
0 8 -6 273.52 264.95 2.59 o
0 -8 -6 273.52 265.02 2.59 o
0 8 -8 154.08 143.50 1.62 o
0 8 8 154.08 144.53 1.62 o
0 -8 -8 154.08 145.19 1.62 o
0 -8 8 154.08 146.29 1.62 o
0 8 -10 78.67 74.16 0.73 o
0 8 10 78.67 74.68 0.73 o
0 -8 -10 78.67 74.97 0.73 o
0 -8 10 78.67 75.27 0.81 o
0 -10 0 273.52 284.03 2.88 o
0 10 0 273.52 286.77 2.96 o
0 10 2 251.15 256.06 2.59 o
0 -10 2 251.15 257.47 2.59 o
0 -10 -2 251.15 257.54 2.59 o
0 10 -2 251.15 262.27 2.59 o
0 -10 4 195.78 194.01 1.77 o
0 10 4 195.78 196.96 1.92 o
0 -10 -4 195.78 197.40 1.92 o
0 10 -4 195.78 199.03 1.99 o
0 10 6 131.95 127.49 1.25 o
0 -10 6 131.95 128.52 1.25 o
0 -10 -6 131.95 129.70 1.32 o
0 10 -6 131.95 131.17 1.32 o
0 -10 -8 78.67 74.31 0.81 o
0 -10 8 78.67 75.05 0.81 o
0 10 8 78.67 75.12 0.81 o
0 10 -8 78.67 76.73 0.88 o
0 -10 10 42.46 38.88 0.51 o
0 10 10 42.46 40.49 0.51 o
0 -10 -10 42.46 40.71 0.51 o
0 10 -10 42.46 41.52 0.51 o
0 12 0 113.39 114.91 1.32 o
0 -12 0 113.39 116.30 1.40 o
0 12 2 105.24 104.81 1.18 o
0 12 -2 105.24 105.54 1.18 o
0 -12 2 105.24 105.84 1.18 o
0 -12 -2 105.24 106.94 1.18 o
0 12 4 84.52 80.28 0.81 o
0 -12 4 84.52 80.72 0.81 o
0 12 -4 84.52 80.79 0.81 o
0 -12 -4 84.52 82.77 0.81 o
0 12 6 59.45 55.85 0.66 o
0 -12 6 59.45 56.80 0.66 o
0 -12 -6 59.45 57.39 0.66 o
0 12 -6 59.45 57.39 0.66 o
0 14 0 45.37 43.57 0.59 o
0 -14 0 45.37 44.38 0.59 o
0 14 2 42.46 40.20 0.51 o
0 -14 2 42.46 40.27 0.51 o
0 -14 -2 42.46 40.49 0.51 o
0 14 -2 42.46 40.93 0.51 o
-1 -3 -1 121.20 119.38 1.70 o
1 -3 -1 121.20 119.38 1.70 o
-1 -3 -1 121.20 119.67 2.74 o
1 3 -1 121.20 119.89 1.70 o
1 3 -1 121.20 119.97 2.96 o
-1 -3 1 121.20 120.12 2.74 o
-1 3 -1 121.20 120.19 1.70 o
1 -3 1 121.20 120.41 1.70 o
-1 -3 1 121.20 120.56 1.70 o
-1 3 1 121.20 120.71 1.70 o
-1 3 -1 121.20 120.86 2.81 o
1 -3 1 121.20 121.00 2.81 o
1 3 1 121.20 121.30 1.70 o
-1 3 1 121.20 122.11 2.81 o
1 -3 -1 121.20 122.26 2.96 o
1 3 1 121.20 123.37 2.74 o
-1 -3 3 112.88 109.35 1.62 o
-1 3 -3 112.88 110.16 1.70 o
1 3 3 112.88 110.68 1.62 o
-1 3 3 112.88 111.71 1.62 o
-1 -3 -3 112.88 111.86 1.70 o
1 3 -3 112.88 112.15 2.43 o
1 3 -3 112.88 112.15 1.70 o
-1 3 -3 112.88 112.96 2.43 o
-1 3 3 112.88 113.04 2.43 o
-1 -3 -3 112.88 113.41 2.43 o
1 -3 3 112.88 113.70 1.70 o
1 -3 -3 112.88 113.92 1.70 o
1 3 3 112.88 114.96 2.43 o
-1 -3 3 112.88 115.03 2.36 o
1 -3 3 112.88 115.03 2.43 o
1 -3 -3 112.88 115.99 2.51 o
-1 3 5 128.60 120.88 2.28 o
-1 -3 5 128.60 121.40 1.40 o
1 -3 5 128.60 121.55 1.40 o
-1 3 -5 128.60 122.06 1.70 o
-1 -3 5 128.60 122.28 2.28 o
-1 -3 -5 128.60 122.28 1.77 o
-1 3 5 128.60 122.58 1.70 o
1 -3 5 128.60 123.32 2.28 o
-1 -3 -5 128.60 123.32 2.28 o
1 -3 -5 128.60 124.94 2.36 o
1 3 5 128.60 125.23 1.77 o
1 3 -5 128.60 125.31 1.77 o
1 3 5 128.60 125.45 2.28 o
-1 3 -5 128.60 125.75 2.28 o
1 3 -5 128.60 127.22 2.36 o
1 -3 -5 128.60 127.30 1.77 o
-1 -3 7 108.95 100.47 1.91 o
-1 3 -7 108.95 102.17 1.91 o
-1 3 7 108.95 102.46 1.10 o
1 -3 7 108.95 103.42 1.18 o
-1 -3 7 108.95 103.42 1.18 o
-1 -3 -7 108.95 103.64 1.91 o
1 3 -7 108.95 103.64 1.25 o
-1 3 7 108.95 103.71 1.91 o
-1 3 -7 108.95 104.23 1.18 o
-1 -3 -7 108.95 104.67 1.18 o
1 3 7 108.95 105.33 1.18 o
1 -3 7 108.95 105.33 1.91 o
1 -3 -7 108.95 105.55 1.18 o
1 3 -7 108.95 106.95 1.99 o
1 -3 -7 108.95 108.20 1.99 o
1 3 7 108.95 108.57 1.99 o
-1 -3 9 64.06 62.01 0.66 o
-1 -3 -9 64.06 63.77 0.66 o
1 3 9 64.06 63.77 0.66 o
1 3 -9 64.06 63.84 0.66 o
1 -3 -9 64.06 64.36 0.66 o
-1 3 -9 64.06 65.09 0.66 o
-1 3 9 64.06 66.41 0.73 o
1 -3 9 64.06 69.57 0.73 o
-1 -3 11 28.91 27.33 0.29 o
-1 -3 -11 28.91 27.70 0.29 o
1 3 11 28.91 28.14 0.29 o
1 -3 11 28.91 28.29 0.29 o
-1 3 -11 28.91 28.51 0.37 o
-1 3 11 28.91 28.58 0.37 o
1 -3 -11 28.91 28.65 0.37 o
1 3 -11 28.91 28.87 0.37 o
-1 -3 13 11.07 10.77 0.15 o
-1 -3 -13 11.07 10.91 0.15 o
-1 3 -13 11.07 10.91 0.15 o
-1 3 13 11.07 11.06 0.15 o
1 -3 13 11.07 11.06 0.15 o
1 3 13 11.07 11.21 0.15 o
1 3 -13 11.07 11.28 0.15 o
1 -3 -13 11.07 11.50 0.15 o
1 5 -1 123.03 126.40 1.70 o
-1 5 -1 123.03 126.40 2.36 o
1 5 1 123.03 126.40 2.36 o
-1 -5 -1 123.03 126.91 1.70 o
-1 5 1 123.03 127.06 1.70 o
-1 -5 1 123.03 127.14 1.70 o
-1 5 -1 123.03 127.43 1.70 o
1 5 1 123.03 127.58 1.70 o
1 -5 -1 123.03 128.32 1.70 o
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