#------------------------------------------------------------------------------
#$Date: 2016-04-06 19:46:23 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181915 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/14/2241434.hkl $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2241434
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                120.000
_cell_length_a                   10.1567
_cell_length_b                   10.1567
_cell_length_c                   9.2774
_exptl_crystal_F_000             778.50
_reflns_d_resolution_high        0.7528
_cod_data_source_file            wm5216Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' a20150085_KFeHPO3 in P-3c1 No.165'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            213.38
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'y, x, -z+1/2'
'-x+y, -x, z'
'-x, -x+y, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'-y, -x, z-1/2'
'x-y, x, -z'
'x, x-y, z-1/2'
'-x+y, y, z-1/2'
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 9650.71 9660.60 70.15 o
0 2 0 0.18 12.80 1.66 o
-1 3 0 2085.28 2203.33 16.07 o
0 3 0 26504.38 27040.90 109.86 o
-2 4 0 2628.94 2745.53 29.12 o
-1 4 0 384.48 290.54 4.82 o
0 4 0 21623.84 21812.49 110.14 o
-2 5 0 1808.01 1736.64 14.30 o
-1 5 0 9755.43 10387.15 49.32 o
0 5 0 450.20 396.68 9.91 o
-3 6 0 7101.83 7543.96 41.80 o
-2 6 0 175.59 185.04 5.10 o
-1 6 0 248.66 261.30 6.22 o
0 6 0 12046.40 12557.01 78.01 o
-3 7 0 6888.27 6833.83 34.57 o
-2 7 0 5155.70 5027.69 33.90 o
-1 7 0 4806.31 5028.21 34.16 o
0 7 0 5506.73 5446.19 58.58 o
-4 8 0 9003.10 9474.77 85.40 o
-3 8 0 4427.00 4445.76 37.71 o
-2 8 0 59.93 73.63 5.57 o
-1 8 0 1794.72 1767.33 24.45 o
0 8 0 1607.61 1658.40 34.81 o
-4 9 0 506.68 497.88 15.29 o
-3 9 0 2748.78 2819.99 36.32 o
-2 9 0 1076.23 1136.84 23.89 o
-1 9 0 2482.43 2444.91 35.66 o
0 9 0 1078.84 1114.47 37.60 o
-5 10 0 4431.83 4645.85 84.05 o
-4 10 0 3569.73 3713.13 46.34 o
-3 10 0 73.09 102.69 9.31 o
-2 10 0 6546.10 6560.21 60.89 o
-1 10 0 469.95 533.47 31.57 o
0 10 0 3806.45 3840.17 82.60 o
-5 11 0 1260.88 1247.95 32.80 o
-4 11 0 64.03 69.70 8.47 o
-3 11 0 3154.61 3043.98 48.74 o
-2 11 0 1573.24 1625.64 38.29 o
-1 11 0 1577.96 1492.64 37.56 o
0 11 0 18.81 38.83 10.98 o
-6 12 0 2301.81 2404.86 97.50 o
-5 12 0 1534.00 1567.30 42.38 o
-4 12 0 629.59 637.06 27.27 o
-3 12 0 1621.63 1711.34 44.17 o
-2 12 0 652.07 759.52 40.11 o
-6 13 0 122.74 149.61 35.86 o
-5 13 0 6231.19 6517.45 248.77 o
-4 13 0 703.40 722.39 79.15 o
-1 2 1 5415.85 5360.40 24.73 o
-2 3 1 7892.00 8029.81 32.75 o
-3 4 1 2111.25 1907.06 12.77 o
-2 4 1 8193.41 8011.53 37.39 o
-1 4 1 8619.98 8537.26 55.18 o
-4 5 1 453.70 536.68 8.46 o
-3 5 1 177.97 127.83 4.55 o
-2 5 1 303.18 381.83 7.99 o
-1 5 1 7263.82 7354.91 30.63 o
-5 6 1 34.09 59.32 4.94 o
-4 6 1 2527.59 2533.93 19.94 o
-3 6 1 2013.09 2095.24 20.63 o
-2 6 1 14148.15 14299.78 48.37 o
-6 7 1 2588.51 2473.47 24.48 o
-5 7 1 240.23 270.96 8.36 o
-4 7 1 3507.60 3449.38 25.37 o
-3 7 1 10892.08 11385.60 72.71 o
-2 7 1 4354.00 4611.10 34.35 o
-1 7 1 4508.74 4337.90 34.21 o
-7 8 1 31.59 62.49 5.66 o
-6 8 1 239.24 219.67 10.27 o
-5 8 1 7504.39 7449.45 78.98 o
-4 8 1 420.74 432.81 12.90 o
-3 8 1 36.22 51.06 5.33 o
-2 8 1 0.10 5.01 3.37 o
-1 8 1 2640.86 2540.41 30.09 o
-8 9 1 357.99 340.12 14.22 o
-7 9 1 448.15 441.76 15.71 o
-6 9 1 4174.25 4362.10 44.40 o
-5 9 1 2505.03 2383.84 36.54 o
-4 9 1 151.59 145.12 8.73 o
-3 9 1 33.08 55.18 5.60 o
-2 9 1 5555.45 5317.70 54.58 o
-1 9 1 374.34 467.49 15.31 o
-9 10 1 3455.71 3407.38 47.38 o
-8 10 1 9.63 19.93 5.83 o
-7 10 1 3.81 2.20 6.10 o
-6 10 1 822.83 775.03 22.96 o
-5 10 1 0.51 14.86 4.69 o
-4 10 1 2315.79 2220.66 38.61 o
-3 10 1 50.12 102.83 9.59 o
-2 10 1 2252.51 2227.40 37.69 o
-1 10 1 776.22 716.17 23.29 o
-10 11 1 908.17 999.21 36.80 o
-9 11 1 532.02 536.27 22.34 o
-8 11 1 50.54 50.52 8.54 o
-7 11 1 2367.37 2417.76 42.81 o
-6 11 1 108.07 92.32 9.00 o
-5 11 1 51.72 70.88 9.28 o
-4 11 1 3541.32 3421.76 59.68 o
-3 11 1 336.64 335.88 19.20 o
-2 11 1 212.78 205.83 17.39 o
-1 11 1 209.79 180.52 15.71 o
-10 12 1 948.71 943.98 44.83 o
-9 12 1 2188.43 2160.36 46.47 o
-8 12 1 320.13 329.83 19.97 o
-7 12 1 19.58 11.29 6.90 o
-6 12 1 674.06 702.27 28.41 o
-5 12 1 2.33 8.61 10.42 o
-4 12 1 7.98 10.04 6.62 o
-3 12 1 32.53 32.48 17.83 o
-2 12 1 799.87 808.79 61.07 o
-9 13 1 117.80 146.19 41.23 o
-7 13 1 35.43 23.52 20.54 o
-6 13 1 1.83 0.94 17.65 o
-5 13 1 774.43 810.54 60.03 o
-4 13 1 5.06 42.72 31.51 o
0 0 2 25762.64 24842.51 157.83 o
-1 1 2 357.33 414.66 7.75 o
0 1 2 571.86 641.18 19.83 o
-2 2 2 9496.48 10308.15 46.41 o
-1 2 2 683.34 740.45 8.05 o
0 2 2 45529.37 45327.00 187.73 o
-2 3 2 504.18 441.66 10.19 o
-1 3 2 12285.73 13180.21 43.93 o
0 3 2 25712.40 25054.06 74.04 o
-4 4 2 683.34 825.83 19.49 o
-3 4 2 272.79 283.51 6.20 o
-2 4 2 2044.93 2120.54 16.49 o
-1 4 2 30.16 59.80 3.30 o
0 4 2 12313.14 12910.92 56.52 o
-5 5 2 5188.23 5425.29 46.39 o
-4 5 2 1664.38 1680.87 15.05 o
-3 5 2 13862.17 13386.93 55.40 o
-2 5 2 354.17 464.82 9.38 o
-1 5 2 18.52 35.68 2.57 o
0 5 2 21607.65 20754.41 102.64 o
-6 6 2 16946.13 16510.56 87.59 o
-5 6 2 2318.81 2219.82 23.48 o
-4 6 2 19400.48 20531.40 74.08 o
-3 6 2 12811.35 12281.90 81.14 o
-1 6 2 2935.64 2880.58 24.55 o
0 6 2 52.77 75.44 6.46 o
-7 7 2 182.04 205.15 13.09 o
-6 7 2 14896.28 15685.34 115.91 o
-5 7 2 1244.85 1284.58 19.54 o
-4 7 2 6.68 20.91 3.38 o
-3 7 2 2203.41 2217.59 31.28 o
-2 7 2 7411.49 7140.00 47.65 o
-1 7 2 1409.82 1453.10 21.52 o
0 7 2 3802.33 3779.99 50.67 o
-8 8 2 3372.86 3604.23 66.80 o
-7 8 2 544.14 516.90 14.50 o
-6 8 2 4634.88 4536.32 41.71 o
-5 8 2 1455.90 1459.55 25.35 o
-4 8 2 157.28 154.40 8.28 o
-3 8 2 1644.43 1606.95 25.99 o
-2 8 2 8.24 29.41 5.02 o
-1 8 2 369.45 399.61 14.15 o
0 8 2 7044.99 7081.78 122.28 o
-9 9 2 168.15 208.04 27.45 o
-8 9 2 279.81 306.59 15.75 o
-7 9 2 2304.27 2415.02 36.47 o
-6 9 2 2549.40 2402.64 35.69 o
-5 9 2 1.48 13.66 4.10 o
-4 9 2 1742.80 1701.90 31.52 o
-3 9 2 175.58 204.83 10.79 o
-2 9 2 1319.57 1515.12 29.33 o
-1 9 2 1560.10 1519.25 32.91 o
0 9 2 1276.72 1350.98 43.58 o
-10 10 2 1402.45 1410.89 51.53 o
-9 10 2 2796.53 2754.55 49.30 o
-8 10 2 490.10 505.79 21.03 o
-7 10 2 939.68 972.75 28.01 o
-6 10 2 8790.21 8709.30 75.71 o
-5 10 2 3695.47 3671.11 52.37 o
-4 10 2 6282.45 6215.10 76.55 o
-3 10 2 1197.29 1153.50 33.20 o
-2 10 2 6991.31 6785.41 76.67 o
-1 10 2 228.90 272.39 15.09 o
0 10 2 1626.56 1406.81 59.84 o
-11 11 2 528.97 561.81 41.57 o
-10 11 2 3117.33 3184.80 59.09 o
-9 11 2 1022.84 1003.80 30.93 o
-8 11 2 3.17 13.38 6.61 o
-7 11 2 823.03 813.86 30.69 o
-6 11 2 1605.09 1638.04 40.74 o
-5 11 2 527.49 532.65 24.12 o
-4 11 2 45.83 45.08 10.95 o
-3 11 2 3394.84 3545.77 62.67 o
-2 11 2 1111.97 1051.96 34.42 o
-1 11 2 20.94 29.27 8.72 o
0 11 2 8308.87 8201.11 188.94 o
-10 12 2 328.86 394.24 40.18 o
-9 12 2 62.67 67.93 9.25 o
-8 12 2 86.51 104.25 10.79 o
-7 12 2 384.72 520.00 26.52 o
-6 12 2 204.02 213.66 15.43 o
-5 12 2 153.23 154.08 13.21 o
-4 12 2 2822.17 2698.84 58.03 o
-3 12 2 395.17 405.77 22.74 o
-7 13 2 243.38 271.30 51.71 o
-6 13 2 4.66 10.67 12.19 o
-1 2 3 20163.09 19217.17 67.33 o
-2 3 3 2064.97 2198.36 16.24 o
-1 3 3 2574.34 2261.90 15.64 o
-3 4 3 188.47 190.99 5.51 o
-2 4 3 10822.27 10824.88 56.77 o
-1 4 3 4071.51 4265.58 25.79 o
-4 5 3 1018.73 1084.72 14.34 o
-3 5 3 3879.95 4116.35 32.30 o
-2 5 3 5108.07 5015.73 31.43 o
-1 5 3 271.91 236.80 7.04 o
-5 6 3 714.67 787.12 15.30 o
-4 6 3 6143.57 6051.84 48.24 o
-3 6 3 377.96 386.85 12.33 o
-2 6 3 2829.83 2926.73 31.94 o
-1 6 3 840.16 787.00 14.50 o
-6 7 3 3322.60 3232.75 31.64 o
-5 7 3 3367.47 3195.28 33.92 o
-4 7 3 151.79 171.07 8.59 o
-3 7 3 38.83 38.88 4.16 o
-2 7 3 0.83 12.32 3.64 o
-1 7 3 993.85 1021.88 18.80 o
-7 8 3 246.77 230.36 10.72 o
-6 8 3 1166.63 1213.80 23.78 o
-5 8 3 114.73 131.12 8.07 o
-4 8 3 150.52 159.53 9.04 o
-3 8 3 2488.37 2394.43 31.18 o
-2 8 3 1.54 8.26 3.45 o
-1 8 3 912.21 887.46 21.11 o
-8 9 3 1418.80 1474.16 35.39 o
-7 9 3 2543.23 2562.66 43.38 o
-6 9 3 46.10 48.57 6.30 o
-5 9 3 1596.76 1647.06 29.51 o
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-3 9 3 122.91 167.87 10.81 o
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-7 10 3 1973.99 2015.33 40.71 o
-6 10 3 1689.08 1617.54 33.97 o
-5 10 3 1571.44 1537.03 34.35 o
-4 10 3 2692.85 2627.95 57.37 o
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-7 11 3 151.10 143.16 14.43 o
-6 11 3 151.95 118.80 11.33 o
-5 11 3 175.23 196.93 13.61 o
-4 11 3 108.04 103.85 12.03 o
-3 11 3 113.50 151.77 15.65 o
-2 11 3 3582.97 3568.40 66.14 o
-1 11 3 18.46 29.39 8.58 o
-10 12 3 19.71 17.40 25.28 o
-9 12 3 2534.86 2529.88 71.92 o
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-7 12 3 4092.45 4120.64 87.79 o
-6 12 3 1747.46 1807.85 48.19 o
-5 12 3 1412.63 1480.73 40.39 o
-4 12 3 44.37 47.13 10.38 o
-3 12 3 2132.88 2115.05 81.34 o
-2 12 3 18.99 31.64 19.17 o
-7 13 3 511.89 564.39 65.83 o
-6 13 3 1480.52 1537.91 115.56 o
0 1 4 24.99 20.90 3.79 o
-2 2 4 3847.72 3583.78 38.64 o
-1 2 4 1037.62 1101.20 14.49 o
0 2 4 20677.57 20062.10 97.99 o
-3 3 4 398.68 457.08 14.28 o
-2 3 4 5195.54 5183.77 36.31 o
-1 3 4 3250.54 3518.01 24.80 o
0 3 4 12250.20 13171.22 97.27 o
-4 4 4 26220.31 25644.04 95.44 o
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-1 4 4 4901.68 4560.82 33.36 o
0 4 4 8205.32 8092.42 54.38 o
-5 5 4 10047.39 9681.46 66.95 o
-4 5 4 2484.02 2562.76 28.14 o
-3 5 4 10708.73 10278.43 53.19 o
-2 5 4 703.63 661.14 10.71 o
-1 5 4 3767.84 3988.80 29.90 o
0 5 4 22309.29 21520.75 96.96 o
-6 6 4 1052.22 1144.81 31.93 o
-5 6 4 556.48 526.20 13.43 o
-4 6 4 4048.43 3926.01 34.57 o
-3 6 4 2172.83 2127.17 24.46 o
-2 6 4 237.64 243.56 10.17 o
-1 6 4 28.75 36.01 3.70 o
0 6 4 1641.38 1750.75 34.61 o
-7 7 4 238.57 320.97 20.14 o
-6 7 4 815.51 789.39 19.42 o
-5 7 4 500.66 486.13 14.12 o
-4 7 4 1241.26 1181.38 21.96 o
-3 7 4 9.87 10.99 3.71 o
-2 7 4 143.15 159.13 8.35 o
0 7 4 3493.66 3502.90 60.79 o
-8 8 4 154.05 238.98 19.02 o
-7 8 4 2.79 10.98 4.78 o
-6 8 4 10142.61 9830.65 75.62 o
-5 8 4 144.09 195.41 10.01 o
-4 8 4 4446.44 4374.72 46.61 o
-3 8 4 14826.53 14370.85 101.93 o
-2 8 4 47.57 55.45 6.33 o
-1 8 4 1445.40 1431.88 29.97 o
0 8 4 26303.32 24866.96 269.30 o
-9 9 4 661.18 698.12 63.86 o
-8 9 4 3759.49 3654.64 57.15 o
-7 9 4 4073.43 3841.59 58.81 o
-6 9 4 1133.01 1198.43 28.00 o
-5 9 4 1304.22 1303.96 28.71 o
-4 9 4 4294.09 4081.99 48.01 o
-3 9 4 75.69 90.80 7.24 o
-2 9 4 1918.11 1798.78 31.32 o
-1 9 4 135.17 150.88 11.71 o
0 9 4 479.72 539.52 34.23 o
-10 10 4 1120.58 1129.80 71.41 o
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-8 10 4 392.33 410.27 20.24 o
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-6 10 4 514.09 510.54 22.21 o
-5 10 4 1442.23 1385.21 31.41 o
-4 10 4 248.19 281.90 17.45 o
-3 10 4 193.60 208.04 13.07 o
-2 10 4 8.81 10.75 5.75 o
-1 10 4 4.95 13.21 9.14 o
0 10 4 234.88 214.73 25.31 o
-11 11 4 4089.43 3801.80 218.24 o
-10 11 4 737.37 649.56 48.62 o
-9 11 4 1293.88 1305.43 40.24 o
-8 11 4 239.39 257.23 19.96 o
-7 11 4 1965.41 1876.48 45.54 o
-6 11 4 2791.65 2667.30 52.82 o
-5 11 4 12.50 48.01 8.83 o
-3 11 4 2837.35 2780.08 64.11 o
-2 11 4 70.47 67.67 12.23 o
-1 11 4 411.72 451.46 30.46 o
-9 12 4 298.44 221.51 25.86 o
-8 12 4 177.23 222.49 26.90 o
-7 12 4 693.35 661.01 44.14 o
-6 12 4 2194.13 2136.85 57.54 o
-5 12 4 1851.97 1901.22 50.84 o
-4 12 4 263.37 275.52 32.25 o
-1 2 5 4267.75 4317.55 33.18 o
-2 3 5 10533.63 10160.68 45.26 o
-1 3 5 172.13 175.95 6.42 o
-3 4 5 1206.05 1159.37 18.35 o
-2 4 5 930.61 1007.17 14.36 o
-1 4 5 4472.16 4338.81 34.25 o
-4 5 5 11216.60 11438.87 69.52 o
-3 5 5 327.99 294.33 9.62 o
-2 5 5 1301.79 1285.73 20.01 o
-5 6 5 1484.32 1361.90 26.64 o
-4 6 5 7214.24 7219.69 49.78 o
-3 6 5 11.86 13.17 2.94 o
-2 6 5 420.44 432.29 13.84 o
-1 6 5 563.05 546.77 15.58 o
-6 7 5 6488.68 6400.29 64.68 o
-5 7 5 1505.73 1555.76 29.74 o
-4 7 5 1949.68 1832.52 28.60 o
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-2 7 5 1099.49 1086.50 23.72 o
-1 7 5 1949.11 1883.88 30.21 o
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-6 8 5 740.92 715.78 22.76 o
-5 8 5 1122.65 1072.11 28.28 o
-4 8 5 412.04 435.33 14.96 o
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-1 8 5 2333.41 2192.57 35.41 o
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0 0 6 14791.21 14134.88 293.41 o
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-2 2 6 11001.75 11135.33 85.71 o
-1 2 6 13013.25 12595.63 65.85 o
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-2 3 6 9205.76 8792.16 50.56 o
-1 3 6 4324.01 4484.00 36.80 o
0 3 6 3863.95 3722.83 44.83 o
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-2 4 6 11734.81 11303.59 58.98 o
-1 4 6 223.57 236.76 9.37 o
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-2 6 6 2467.37 2361.68 32.90 o
-1 6 6 552.31 556.98 17.51 o
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