#------------------------------------------------------------------------------
#$Date: 2019-01-31 05:42:06 +0200 (Thu, 31 Jan 2019) $
#$Revision: 213401 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/14/2021465.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_2021465
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   10.3262
_cell_length_b                   10.3262
_cell_length_c                   10.3262
_exptl_crystal_F_000             1252.00
_reflns_d_resolution_high        0.7511
_cod_data_source_file            ky3157Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' a in P2(1)3'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            315.24
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'z, x, y'
'y, z, x'
'-y+1/2, -z, x+1/2'
'z+1/2, -x+1/2, -y'
'-y, z+1/2, -x+1/2'
'-z+1/2, -x, y+1/2'
'-z, x+1/2, -y+1/2'
'y+1/2, -z+1/2, -x'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -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
-1 1 1 33667.74 35599.08 657.41 o
0 1 1 189.73 301.42 18.86 o
1 1 1 32845.30 34984.75 966.06 o
0 0 2 1563.96 1751.18 61.06 o
1 0 2 5828.01 6052.08 87.10 o
-1 1 2 22183.66 22234.49 297.92 o
0 1 2 69719.30 71138.19 921.55 o
1 1 2 25610.49 26031.33 259.89 o
-2 2 2 1114.31 1234.20 61.65 o
-1 2 2 12646.37 12858.92 168.55 o
0 2 2 3647.78 3595.63 65.89 o
1 2 2 11781.63 12180.59 160.33 o
2 2 2 1132.29 1159.20 71.07 o
1 0 3 91791.99 93595.39 985.40 o
2 0 3 31130.71 30790.29 337.25 o
-2 1 3 71061.97 70789.86 791.92 o
-1 1 3 24853.59 24707.77 290.10 o
0 1 3 99378.98 101415.44 1171.00 o
1 1 3 22990.89 23009.28 266.16 o
2 1 3 70477.50 69728.41 727.24 o
-2 2 3 10152.43 9917.36 148.56 o
-1 2 3 51570.63 51824.38 617.34 o
0 2 3 130.13 246.49 24.57 o
1 2 3 50241.14 50666.14 521.02 o
2 2 3 11534.69 11185.05 154.31 o
-3 3 3 50316.26 51000.20 927.83 o
-2 3 3 912.04 1119.83 42.71 o
-1 3 3 12195.09 11878.16 164.37 o
0 3 3 3363.94 3417.21 143.35 o
1 3 3 10525.83 10213.03 139.48 o
2 3 3 1449.24 1674.36 53.32 o
3 3 3 54757.37 56023.53 1396.49 o
0 0 4 37085.38 35411.70 527.34 o
1 0 4 10423.64 9761.33 200.10 o
2 0 4 960.37 925.66 34.12 o
3 0 4 42120.03 43356.05 477.08 o
-3 1 4 18789.86 18686.46 227.03 o
-2 1 4 6625.75 6949.36 112.43 o
-1 1 4 557.87 543.39 32.83 o
0 1 4 1255.60 1467.16 47.36 o
1 1 4 722.86 810.34 36.90 o
2 1 4 6479.00 6421.88 103.28 o
3 1 4 17304.08 17304.53 215.17 o
-3 2 4 32933.45 32744.75 386.07 o
-2 2 4 68954.92 69051.23 767.56 o
-1 2 4 16267.26 15683.53 216.37 o
0 2 4 112.68 216.25 25.57 o
1 2 4 16741.66 16137.89 192.37 o
2 2 4 71534.68 70686.70 772.21 o
3 2 4 31412.15 31395.25 370.75 o
-3 3 4 3299.30 3477.45 87.89 o
-2 3 4 2335.33 2334.82 64.20 o
-1 3 4 41471.47 42420.84 488.60 o
0 3 4 6509.24 6535.46 101.11 o
1 3 4 38392.04 38767.00 448.44 o
2 3 4 2446.73 2538.82 67.29 o
3 3 4 3392.08 3611.45 109.58 o
-4 4 4 53165.41 52395.11 1241.98 o
-3 4 4 9371.02 9592.99 156.33 o
-2 4 4 4777.02 4698.90 109.72 o
-1 4 4 25725.75 26044.01 337.18 o
0 4 4 16669.14 16041.01 202.69 o
1 4 4 24804.96 25324.85 285.05 o
2 4 4 4754.24 4656.75 106.20 o
3 4 4 8105.72 8046.80 156.13 o
4 4 4 53028.57 52348.26 1074.98 o
1 0 5 37737.18 38708.41 429.94 o
2 0 5 14199.23 13793.58 169.61 o
3 0 5 28654.98 28238.22 336.62 o
4 0 5 3970.01 3785.61 83.97 o
-4 1 5 17710.54 18130.64 238.61 o
-3 1 5 873.68 1029.23 59.90 o
-2 1 5 2518.67 2872.33 64.28 o
-1 1 5 18356.20 17861.43 237.36 o
0 1 5 7352.07 7272.29 127.86 o
1 1 5 19024.05 18930.20 221.43 o
2 1 5 2476.30 2646.11 87.99 o
3 1 5 850.74 961.38 47.52 o
4 1 5 17643.06 17846.67 228.82 o
-4 2 5 38015.73 37757.76 435.23 o
-3 2 5 30759.18 30276.16 379.07 o
-2 2 5 6392.97 6413.27 94.81 o
-1 2 5 8277.03 7951.31 146.50 o
0 2 5 78463.05 78543.24 899.62 o
1 2 5 8096.64 7923.44 127.16 o
2 2 5 5490.18 5652.64 111.15 o
3 2 5 31713.99 31699.72 370.30 o
4 2 5 37564.46 37383.41 405.60 o
-4 3 5 11568.58 11596.27 209.25 o
-3 3 5 5018.55 5732.11 121.47 o
-2 3 5 43224.66 42174.44 488.84 o
-1 3 5 169.63 353.54 35.42 o
0 3 5 32045.95 31063.81 366.99 o
1 3 5 168.95 343.65 30.59 o
2 3 5 46265.29 45371.75 500.30 o
3 3 5 5664.88 5985.45 120.61 o
4 3 5 12228.60 12167.91 197.34 o
-4 4 5 5054.70 5215.91 173.10 o
-3 4 5 25859.46 25705.61 325.08 o
-2 4 5 7277.21 7116.29 137.70 o
-1 4 5 28215.05 27375.64 349.22 o
0 4 5 1620.34 1681.80 54.54 o
1 4 5 29098.36 28763.54 360.46 o
2 4 5 6059.30 6018.84 118.78 o
3 4 5 25388.98 24822.56 338.88 o
4 4 5 4424.65 4871.56 117.46 o
-5 5 5 34430.05 34618.91 895.08 o
-4 5 5 6407.53 6739.12 165.61 o
-3 5 5 9841.79 10151.57 179.00 o
-2 5 5 7333.90 7372.63 171.30 o
-1 5 5 23432.19 22570.65 331.33 o
0 5 5 6971.69 6882.75 142.83 o
1 5 5 23123.86 22503.83 324.31 o
2 5 5 7894.41 8099.53 144.22 o
3 5 5 9300.18 9274.56 174.09 o
4 5 5 6661.49 6476.95 142.96 o
5 5 5 32673.59 32207.75 765.54 o
0 0 6 3772.65 3921.14 101.10 o
1 0 6 21514.74 21185.84 265.25 o
2 0 6 29441.99 29192.89 320.71 o
3 0 6 185.23 321.99 33.67 o
4 0 6 1054.22 1272.47 68.97 o
5 0 6 1304.37 1243.89 70.19 o
-5 1 6 440.64 588.94 49.51 o
-4 1 6 865.04 974.51 56.70 o
-3 1 6 48785.81 47504.50 569.36 o
-2 1 6 30240.03 29947.15 357.03 o
-1 1 6 35783.16 35956.83 430.05 o
0 1 6 8404.39 7798.03 127.45 o
1 1 6 32657.28 32661.16 351.22 o
2 1 6 30473.85 30313.33 344.63 o
3 1 6 50017.25 49530.22 527.67 o
4 1 6 873.72 951.76 62.86 o
5 1 6 432.12 482.01 50.57 o
-5 2 6 5408.65 5441.21 138.89 o
-4 2 6 11748.56 11496.51 231.25 o
-3 2 6 18470.25 18250.13 258.95 o
-2 2 6 14245.52 13806.56 230.20 o
-1 2 6 3855.06 4223.13 117.90 o
0 2 6 26769.80 27176.71 345.49 o
1 2 6 4608.72 4825.01 104.63 o
2 2 6 13744.31 13695.57 199.59 o
3 2 6 19010.91 19206.86 268.79 o
4 2 6 10874.38 10928.52 187.59 o
5 2 6 4798.41 4971.87 129.80 o
-5 3 6 7804.42 8519.50 316.60 o
-4 3 6 5271.50 5326.50 146.88 o
-3 3 6 896.54 850.17 60.42 o
-2 3 6 22762.35 21942.39 347.95 o
-1 3 6 10145.19 10172.43 188.06 o
0 3 6 25237.71 24505.29 310.56 o
1 3 6 9929.45 10118.96 162.20 o
2 3 6 20941.43 20424.27 307.32 o
3 3 6 1097.37 1035.88 64.12 o
4 3 6 6306.91 6522.91 144.56 o
5 3 6 9554.69 9866.51 204.16 o
-5 4 6 10160.30 10253.67 226.51 o
-4 4 6 3839.69 3989.76 119.74 o
-3 4 6 2825.73 3034.17 125.59 o
-2 4 6 5246.83 5259.41 139.30 o
-1 4 6 21461.25 21626.12 377.50 o
0 4 6 3467.23 3820.40 102.55 o
1 4 6 22425.92 22074.26 323.89 o
2 4 6 4276.71 4306.11 115.68 o
3 4 6 3691.72 4274.04 124.41 o
4 4 6 4200.08 3984.12 116.37 o
5 4 6 10460.44 10502.31 220.50 o
-5 5 6 5765.88 6021.43 196.74 o
-4 5 6 10793.73 10929.42 236.93 o
-3 5 6 13211.79 13361.14 234.64 o
-2 5 6 5182.87 5625.80 164.57 o
-1 5 6 13405.30 12987.92 240.99 o
0 5 6 62.96 207.17 33.08 o
1 5 6 14349.24 13829.36 231.92 o
2 5 6 5455.43 5777.28 139.01 o
3 5 6 13414.22 13250.96 238.18 o
4 5 6 11570.46 11650.80 220.58 o
5 5 6 6224.80 6366.92 167.65 o
-6 6 6 4683.34 4937.35 350.47 o
-5 6 6 4979.46 4836.37 195.38 o
-4 6 6 15727.74 16089.40 336.81 o
-3 6 6 2512.09 2684.24 127.03 o
-2 6 6 3836.70 3924.12 120.69 o
-1 6 6 1853.04 1982.87 91.73 o
0 6 6 49127.34 49098.70 664.97 o
1 6 6 1522.64 1783.00 101.56 o
2 6 6 3655.63 3611.00 121.58 o
3 6 6 2378.35 2647.54 111.42 o
4 6 6 16487.34 16382.71 302.57 o
5 6 6 4587.41 4249.35 154.25 o
6 6 6 3895.45 3357.40 280.81 o
1 0 7 6712.35 6603.73 137.84 o
2 0 7 1512.92 1694.46 79.44 o
3 0 7 213.48 409.88 43.44 o
4 0 7 38370.16 38744.66 536.70 o
5 0 7 196.51 230.83 44.23 o
6 0 7 1949.36 2025.50 131.60 o
-6 1 7 862.94 950.13 77.15 o
-5 1 7 9607.61 9459.49 227.21 o
-4 1 7 16253.78 16262.97 255.44 o
-3 1 7 14164.11 13990.99 223.64 o
-2 1 7 3050.06 3093.70 119.04 o
-1 1 7 17080.44 16816.97 256.10 o
0 1 7 30900.68 30585.86 371.41 o
1 1 7 17069.77 17153.01 230.37 o
2 1 7 2652.56 2704.19 95.71 o
3 1 7 15320.12 14936.37 258.10 o
4 1 7 15218.38 14868.16 265.22 o
5 1 7 9830.57 9955.94 221.13 o
6 1 7 984.66 1038.86 83.00 o
-6 2 7 1574.51 1782.62 122.00 o
-5 2 7 33494.48 32796.66 589.64 o
-4 2 7 1762.83 1997.47 99.00 o
-3 2 7 5964.45 6361.73 164.54 o
-2 2 7 12897.33 12933.90 227.07 o
-1 2 7 1796.59 2119.04 82.31 o
0 2 7 19857.54 19452.94 274.04 o
1 2 7 1230.72 1384.81 60.85 o
2 2 7 12281.79 12136.81 194.14 o
3 2 7 5937.76 6362.68 150.20 o
4 2 7 1019.01 1291.72 75.29 o
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-6 3 7 8781.37 8811.36 232.36 o
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4 5 7 6907.41 7033.98 170.34 o
5 5 7 5690.71 6198.12 171.48 o
6 5 7 21041.87 20663.12 395.83 o
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1 6 7 6663.24 6425.00 190.46 o
2 6 7 25151.30 24939.56 412.29 o
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5 6 7 4297.22 4337.48 156.81 o
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-7 7 7 16770.17 17134.97 802.56 o
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-5 7 7 2538.52 2599.52 178.96 o
-4 7 7 329.06 412.47 66.17 o
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-2 7 7 6634.09 6376.22 183.16 o
-1 7 7 77.43 258.12 56.22 o
0 7 7 1929.76 1698.79 124.08 o
1 7 7 203.43 352.01 71.89 o
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1 2 13 7518.75 7225.56 310.87 o
2 2 13 402.60 547.24 174.33 o
3 2 13 4515.98 5252.01 465.92 o
4 2 13 1950.57 2056.18 324.62 o
-3 3 13 4600.35 4483.78 617.26 o
-2 3 13 2207.09 2256.95 248.49 o
-1 3 13 2077.82 2185.54 209.54 o
0 3 13 859.91 1015.20 144.28 o
1 3 13 1961.90 1873.23 188.49 o
2 3 13 2045.11 1853.94 309.97 o
3 3 13 4871.64 3815.03 425.77 o
-2 4 13 4062.50 3478.23 315.07 o
-1 4 13 747.97 766.21 147.04 o
0 4 13 496.62 454.46 122.07 o
1 4 13 711.38 995.85 156.31 o
2 4 13 4169.63 4088.39 451.07 o