#------------------------------------------------------------------------------
#$Date: 2018-04-30 19:32:52 +0300 (Mon, 30 Apr 2018) $
#$Revision: 207565 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/24/2242480.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_2242480
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   5.8340
_cell_length_b                   5.8340
_cell_length_c                   4.5460
_exptl_crystal_F_000             167.00
_reflns_d_resolution_high        0.7006
_cod_data_source_file            wm5432SMB_K2ReF6_1sup2.hkl
_cod_data_source_block           SMB_K2ReF6_1
_shelx_title
' SMB_K2ReF6_1_0m_a.res in P-3     New: P-3m1'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            111.16
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'-x, -x+y, -z'
'x-y, -y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'x, x-y, z'
'-x+y, y, z'
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 1 0 3922.53 4038.32 73.17 o
-1 2 0 6122.60 6166.21 112.39 o
0 2 0 826.80 770.17 15.67 o
-1 3 0 2269.53 2280.18 29.45 o
0 3 0 4147.46 4145.77 73.69 o
-2 4 0 8133.02 8275.23 160.48 o
-1 4 0 1870.06 1836.57 25.25 o
0 4 0 746.46 717.60 16.69 o
-2 5 0 1519.95 1511.56 23.11 o
-1 5 0 2417.59 2428.09 37.81 o
0 5 0 957.48 981.63 25.08 o
-3 6 0 1935.20 1974.16 46.23 o
-2 6 0 553.95 554.58 11.96 o
-1 6 0 844.84 864.93 18.98 o
0 6 0 2557.79 2684.82 71.89 o
-3 7 0 644.28 653.00 14.63 o
-2 7 0 1373.77 1409.40 26.75 o
-1 7 0 642.71 666.29 17.47 o
0 7 0 552.03 586.49 23.81 o
-4 8 0 1703.29 1716.28 51.98 o
-3 8 0 513.55 538.98 14.36 o
-2 8 0 303.15 308.50 13.20 o
0 0 1 4324.44 3923.34 167.78 o
-1 1 1 3331.50 3397.26 63.57 o
0 1 1 7099.93 6841.41 130.69 o
-2 2 1 12356.31 12344.91 212.76 o
-1 2 1 2665.59 2613.14 33.74 o
0 2 1 112.47 122.06 3.76 o
-3 3 1 2207.57 2194.03 40.51 o
-2 3 1 2365.43 2371.19 31.39 o
-1 3 1 4334.76 4333.73 52.02 o
0 3 1 1754.97 1693.76 34.08 o
-4 4 1 280.79 284.27 9.12 o
-3 4 1 3317.21 3319.27 42.78 o
-2 4 1 2043.58 2009.51 26.94 o
-1 4 1 1671.35 1631.07 21.89 o
0 4 1 5283.35 5088.22 101.46 o
-5 5 1 1976.60 2022.71 48.08 o
-4 5 1 1110.10 1125.63 19.66 o
-3 5 1 1199.81 1193.02 19.66 o
-2 5 1 2703.27 2654.61 39.17 o
-1 5 1 1316.10 1314.12 21.75 o
0 5 1 1036.45 1053.47 26.19 o
-6 6 1 822.25 850.86 27.64 o
-5 6 1 830.01 847.37 17.26 o
-4 6 1 3028.33 3031.46 50.01 o
-3 6 1 977.58 981.13 18.30 o
-2 6 1 270.46 278.68 7.46 o
-1 6 1 1644.16 1678.48 29.36 o
0 6 1 811.39 855.76 27.04 o
-7 7 1 410.52 441.50 19.16 o
-6 7 1 1217.79 1254.40 27.59 o
-5 7 1 761.69 754.52 16.45 o
-4 7 1 678.98 674.00 15.72 o
-3 7 1 1350.56 1348.00 25.53 o
-2 7 1 588.97 606.40 14.31 o
-1 7 1 521.73 558.45 16.21 o
0 7 1 1068.16 1179.26 41.41 o
-5 8 1 988.56 1002.14 22.90 o
-4 8 1 567.96 587.60 16.49 o
-3 8 1 457.75 465.86 15.21 o
0 0 2 46.52 78.29 8.91 o
-1 1 2 5619.75 5732.21 111.99 o
0 1 2 2267.49 2275.20 51.67 o
-2 2 2 5094.55 5197.85 92.14 o
-1 2 2 2077.90 2068.50 35.91 o
0 2 2 6221.46 6052.84 106.87 o
-3 3 2 1538.92 1465.20 28.74 o
-2 3 2 4200.18 4252.64 55.10 o
-1 3 2 1922.51 1912.95 26.46 o
0 3 2 1483.30 1418.23 30.99 o
-4 4 2 3245.75 3191.00 66.39 o
-3 4 2 1401.07 1396.95 20.95 o
-2 4 2 185.06 174.58 4.25 o
-1 4 2 2946.96 2869.90 37.98 o
0 4 2 2533.03 2479.23 51.37 o
-5 5 2 1073.31 1081.15 30.74 o
-4 5 2 895.76 868.30 17.51 o
-3 5 2 2206.31 2166.33 36.49 o
-2 5 2 1088.75 1070.37 18.83 o
-1 5 2 922.58 896.03 16.48 o
0 5 2 2078.32 2014.60 50.92 o
-6 6 2 171.11 170.34 11.47 o
-5 6 2 1621.70 1604.70 30.93 o
-4 6 2 1530.27 1540.40 28.73 o
-3 6 2 738.93 730.21 15.27 o
-2 6 2 2046.12 2030.74 34.97 o
-1 6 2 825.62 835.47 19.45 o
0 6 2 170.30 178.03 10.72 o
-6 7 2 533.33 526.29 19.45 o
-5 7 2 487.37 486.70 12.97 o
-4 7 2 1407.31 1389.61 31.77 o
-3 7 2 736.74 721.48 18.63 o
-2 7 2 464.49 460.37 14.43 o
-1 7 2 1035.74 1046.92 24.55 o
0 0 3 3073.61 3454.69 106.19 o
-1 1 3 2010.32 2024.62 58.34 o
0 1 3 1276.94 1159.94 33.41 o
-2 2 3 313.13 314.47 11.03 o
-1 2 3 3897.48 4090.61 59.12 o
0 2 3 4739.65 4925.74 96.00 o
-3 3 3 2756.46 2780.50 56.01 o
-2 3 3 1568.12 1599.55 25.25 o
-1 3 3 1072.60 1080.88 18.37 o
0 3 3 3098.65 3314.91 65.81 o
-4 4 3 2566.62 2567.00 59.90 o
-3 4 3 788.55 770.79 15.41 o
-2 4 3 1918.00 1920.05 29.68 o
-1 4 3 1297.18 1270.74 25.22 o
0 4 3 283.48 299.50 10.67 o
-5 5 3 570.00 570.16 19.08 o
-4 5 3 1951.65 1947.49 35.87 o
-3 5 3 1112.37 1096.51 21.79 o
-2 5 3 586.74 585.30 13.01 o
-1 5 3 1768.17 1755.77 32.79 o
0 5 3 888.90 877.86 31.74 o
-6 6 3 922.73 970.20 38.48 o
-5 6 3 738.63 726.09 19.02 o
-4 6 3 224.42 226.58 8.84 o
-3 6 3 1532.39 1522.66 36.67 o
-2 6 3 1604.01 1598.52 30.97 o
-1 6 3 454.34 458.24 14.17 o
0 6 3 931.82 892.03 31.11 o
-5 7 3 965.40 982.69 23.77 o
-4 7 3 629.42 624.25 17.87 o
-3 7 3 393.28 397.76 14.96 o
-2 7 3 1138.89 1119.53 28.14 o
0 0 4 3901.04 4431.68 158.38 o
-1 1 4 724.11 777.72 23.48 o
0 1 4 2933.70 3162.90 67.74 o
-2 2 4 1168.14 1180.82 34.29 o
-1 2 4 1647.99 1692.62 45.84 o
0 2 4 610.74 636.54 25.33 o
-3 3 4 1331.44 1247.98 34.36 o
-2 3 4 527.57 528.56 13.37 o
-1 3 4 2207.24 2212.11 36.63 o
0 3 4 1391.46 1482.74 43.41 o
-4 4 4 417.86 408.01 17.72 o
-3 4 4 1844.90 1743.47 32.95 o
-2 4 4 2285.04 2256.49 43.00 o
-1 4 4 481.04 488.66 12.10 o
0 4 4 867.11 860.32 32.02 o
-5 5 4 1154.35 1144.66 45.89 o
-4 5 4 960.56 941.64 22.80 o
-3 5 4 436.00 414.94 12.69 o
-2 5 4 1535.72 1470.79 30.70 o
-1 5 4 923.94 925.72 22.03 o
0 5 4 282.28 280.58 20.88 o
-5 6 4 259.71 257.04 11.23 o
-4 6 4 638.68 619.40 18.44 o
-3 6 4 786.57 756.11 25.36 o
-2 6 4 294.15 289.46 11.21 o
-1 6 4 1012.72 1026.45 38.07 o
0 0 5 837.27 942.57 55.57 o
-1 1 5 1734.85 1903.70 48.03 o
0 1 5 1574.68 1747.27 48.09 o
-2 2 5 1852.52 1920.95 53.56 o
-1 2 5 365.76 403.95 11.99 o
0 2 5 678.53 717.22 25.25 o
-3 3 5 341.69 335.45 16.66 o
-2 3 5 1418.17 1395.74 31.81 o
-1 3 5 1246.77 1195.02 36.04 o
0 3 5 284.57 272.62 16.64 o
-4 4 5 514.26 449.68 25.33 o
-3 4 5 1087.08 962.61 45.06 o
-2 4 5 544.29 468.58 15.93 o
-1 4 5 1170.37 1072.28 26.46 o
0 4 5 1253.86 1170.47 43.16 o
-4 5 5 207.52 177.16 10.64 o
-3 5 5 959.33 843.34 23.69 o
-2 5 5 953.19 838.04 22.99 o
-1 5 5 245.17 211.55 12.90 o
0 0 6 538.67 597.49 42.83 o
-1 1 6 1249.16 1315.89 43.06 o
0 1 6 247.54 278.90 15.79 o
-2 2 6 613.31 688.43 26.46 o
-1 2 6 888.77 935.22 23.11 o
0 2 6 1006.73 1016.14 36.00 o
-2 3 6 1096.12 1143.18 28.66 o
-1 3 6 224.21 234.82 9.78 o