#------------------------------------------------------------------------------
#$Date: 2018-01-17 08:28:57 +0200 (Wed, 17 Jan 2018) $
#$Revision: 205315 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/09/2020923.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_2020923
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   12.2643
_cell_length_b                   12.2643
_cell_length_c                   12.2643
_exptl_crystal_F_000             2184.00
_reflns_d_resolution_high        0.7128
_cod_data_source_file            ly3054Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' test in I-43d'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            970.92
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'z, x, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z, x'
'-y, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z, x+1/2'
'y+1/4, x+1/4, z+1/4'
'-y+1/4, -x+3/4, z+3/4'
'y+3/4, -x+1/4, -z+3/4'
'-y+3/4, x+3/4, -z+1/4'
'x+1/4, z+1/4, y+1/4'
'-x+3/4, z+3/4, -y+1/4'
'-x+1/4, -z+3/4, y+3/4'
'x+3/4, -z+1/4, -y+3/4'
'z+1/4, y+1/4, x+1/4'
'z+3/4, -y+1/4, -x+3/4'
'-z+3/4, y+3/4, -x+1/4'
'-z+1/4, -y+3/4, x+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-x+1/2, y+1, -z+1'
'x+1, -y+1, -z+1/2'
'z+1/2, x+1/2, y+1/2'
'z+1, -x+1, -y+1/2'
'-z+1, -x+1/2, y+1'
'-z+1/2, x+1, -y+1'
'y+1/2, z+1/2, x+1/2'
'-y+1/2, z+1, -x+1'
'y+1, -z+1, -x+1/2'
'-y+1, -z+1/2, x+1'
'y+3/4, x+3/4, z+3/4'
'-y+3/4, -x+5/4, z+5/4'
'y+5/4, -x+3/4, -z+5/4'
'-y+5/4, x+5/4, -z+3/4'
'x+3/4, z+3/4, y+3/4'
'-x+5/4, z+5/4, -y+3/4'
'-x+3/4, -z+5/4, y+5/4'
'x+5/4, -z+3/4, -y+5/4'
'z+3/4, y+3/4, x+3/4'
'z+5/4, -y+3/4, -x+5/4'
'-z+5/4, y+5/4, -x+3/4'
'-z+3/4, -y+5/4, x+5/4'
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 2 74564.63 75814.34 644.63 o
1 1 2 70462.45 72502.70 637.96 o
0 2 2 18747.56 19488.77 235.40 o
0 1 3 192300.47 194728.53 1154.49 o
-1 2 3 566732.94 571122.06 3341.67 o
1 2 3 571880.19 579950.69 3369.21 o
-2 3 3 94202.68 99417.66 937.93 o
2 3 3 121757.80 127495.25 1111.09 o
0 0 4 412099.41 416829.97 4886.66 o
-2 2 4 204467.70 198839.84 1669.44 o
0 2 4 169402.42 169458.25 1021.02 o
2 2 4 178157.72 175569.88 1540.51 o
-1 3 4 32633.59 33042.53 266.63 o
1 3 4 37572.93 37645.01 300.06 o
-4 4 4 925865.06 917524.81 13148.97 o
0 4 4 117439.11 118590.80 1117.86 o
4 4 4 942683.75 914190.06 15116.83 o
0 1 5 770.24 1331.53 57.36 o
-1 2 5 186653.23 187050.50 1107.36 o
1 2 5 183388.86 183408.88 1143.07 o
-2 3 5 106181.77 105919.59 661.91 o
0 3 5 169685.44 173619.72 1097.04 o
2 3 5 96240.67 96852.42 674.75 o
-3 4 5 158334.78 158117.50 1013.75 o
-1 4 5 101912.52 102611.77 686.50 o
1 4 5 100641.79 102310.44 727.28 o
3 4 5 160250.14 160145.92 1170.92 o
-2 5 5 55584.94 55886.42 632.03 o
2 5 5 55588.39 56648.34 768.83 o
-1 1 6 232546.16 234033.89 2062.68 o
1 1 6 253377.11 255755.95 2079.15 o
0 2 6 180648.06 183692.50 1146.50 o
-3 3 6 5833.37 6382.15 183.68 o
-1 3 6 247958.02 247487.14 1516.46 o
1 3 6 268214.53 267349.44 1598.81 o
3 3 6 11477.11 10194.25 798.77 o
-2 4 6 188327.75 188724.64 1368.96 o
0 4 6 178901.59 181772.19 1293.17 o
2 4 6 200919.63 203893.06 1409.38 o
-5 5 6 24869.01 24807.47 374.44 o
-3 5 6 41877.03 41723.18 378.31 o
-1 5 6 167693.08 167146.20 1185.40 o
1 5 6 156821.36 157351.86 1342.66 o
3 5 6 35900.07 35464.26 420.27 o
5 5 6 26804.52 26975.46 502.47 o
-4 6 6 82140.16 80925.33 928.68 o
0 6 6 114348.15 116669.53 1356.40 o
4 6 6 81786.27 80275.50 1039.82 o
0 1 7 147502.38 146757.88 952.80 o
-1 2 7 6249.46 7035.94 137.42 o
1 2 7 8988.70 9524.15 141.82 o
-2 3 7 22370.94 22774.30 254.62 o
0 3 7 17306.02 17419.31 203.79 o
2 3 7 24417.62 24793.33 258.28 o
-3 4 7 108233.33 106785.46 830.52 o
-1 4 7 126962.02 126904.31 953.68 o
1 4 7 128984.42 129183.92 1015.45 o
3 4 7 105525.27 105473.31 974.42 o
-4 5 7 159734.78 156153.13 1115.11 o
-2 5 7 246419.00 246470.02 1835.37 o
0 5 7 92752.83 93426.44 833.09 o
2 5 7 255267.89 255759.14 1965.94 o
4 5 7 148792.83 144602.02 1307.16 o
-5 6 7 132441.14 129324.46 1063.90 o
-3 6 7 22575.41 22886.98 288.37 o
-1 6 7 52174.46 53155.44 492.10 o
1 6 7 42499.00 42898.52 508.22 o
3 6 7 23396.54 23942.24 340.54 o
5 6 7 138693.78 134781.55 1138.64 o
-6 7 7 41526.39 41357.70 727.60 o
-2 7 7 91038.65 91007.45 1159.89 o
2 7 7 92545.94 90478.70 1229.64 o
6 7 7 35076.13 34306.70 669.00 o
0 0 8 427793.75 424192.09 5350.83 o
-2 2 8 489562.50 479251.50 4393.16 o
0 2 8 305.60 714.03 77.51 o
2 2 8 454422.94 451088.00 4422.21 o
-1 3 8 63661.02 63531.78 537.77 o
1 3 8 54654.71 55363.49 521.22 o
-4 4 8 61106.66 60095.39 733.38 o
-2 4 8 90015.30 88129.35 774.95 o
0 4 8 610.62 1314.03 97.49 o
2 4 8 94137.48 92526.33 749.13 o
4 4 8 53549.99 53011.36 877.04 o
-3 5 8 98958.80 98490.66 900.21 o
-1 5 8 39526.15 39526.11 430.08 o
1 5 8 37123.80 37185.92 435.59 o
3 5 8 97877.90 97601.96 966.91 o
-6 6 8 37766.57 37230.03 658.45 o
-4 6 8 54231.87 53410.23 544.24 o
-2 6 8 139348.59 137270.28 1244.84 o
0 6 8 19.75 492.62 112.47 o
2 6 8 147842.94 146069.73 1402.96 o
4 6 8 53566.10 52848.74 633.50 o
6 6 8 29852.89 29315.97 687.28 o
-5 7 8 50533.53 50577.80 624.17 o
-3 7 8 44470.36 43948.86 497.42 o
-1 7 8 87773.46 86936.91 850.30 o
1 7 8 86850.08 87070.77 885.45 o
3 7 8 41230.73 40875.05 512.85 o
5 7 8 57686.72 57900.53 659.42 o
-8 8 8 175720.59 170754.55 4541.38 o
-4 8 8 87663.55 84811.53 1250.45 o
0 8 8 180940.53 179578.81 2452.11 o
4 8 8 76912.50 75686.57 1307.62 o
8 8 8 210167.05 199650.23 5207.04 o
0 1 9 111654.59 111845.92 850.97 o
-1 2 9 40664.37 41050.77 405.60 o
1 2 9 40103.98 40496.14 414.63 o
-2 3 9 95754.85 95051.80 832.87 o
0 3 9 167863.27 167144.06 1301.75 o
2 3 9 100473.27 99936.98 843.45 o
-3 4 9 61756.33 62424.54 651.57 o
-1 4 9 104644.34 104873.98 947.24 o
1 4 9 105191.88 106233.17 926.74 o
3 4 9 67928.89 68430.37 663.54 o
-4 5 9 23113.35 23364.74 333.53 o
-2 5 9 5063.37 5748.22 192.07 o
0 5 9 73345.57 72705.99 714.19 o
2 5 9 6412.61 7352.90 187.75 o
4 5 9 20622.81 21244.46 334.25 o
-5 6 9 19446.60 20337.25 343.11 o
-3 6 9 69676.16 68493.52 702.42 o
-1 6 9 17283.91 17915.68 281.22 o
1 6 9 15566.28 16110.44 293.65 o
3 6 9 72857.28 71238.95 812.19 o
5 6 9 24581.84 25036.84 444.97 o
-6 7 9 64652.29 62224.77 793.86 o
-4 7 9 22164.10 22127.13 375.14 o
-2 7 9 21435.02 22281.42 357.71 o
0 7 9 25430.65 25464.46 402.26 o
2 7 9 27784.44 28425.74 442.08 o
4 7 9 21333.54 20832.66 421.19 o
6 7 9 54960.22 52850.37 867.72 o
-7 8 9 14329.92 14509.08 415.10 o
-5 8 9 27550.76 27900.31 501.78 o
-3 8 9 81786.94 79034.83 904.66 o
-1 8 9 70643.44 69094.10 756.30 o
1 8 9 69987.80 69517.84 879.47 o
3 8 9 79781.11 76735.66 998.02 o
5 8 9 30817.53 30114.05 583.06 o
7 8 9 14500.61 14245.41 431.30 o
-6 9 9 55838.50 54014.74 1070.48 o
-2 9 9 84884.13 83693.58 1304.46 o
2 9 9 87444.48 85594.16 1531.28 o
6 9 9 50659.06 47619.62 1209.43 o
-1 1 10 100231.22 98419.63 1198.51 o
1 1 10 119905.36 118156.46 1259.46 o
0 2 10 4416.35 5130.85 162.00 o
-3 3 10 55636.80 54507.69 922.64 o
-1 3 10 94422.44 94222.07 887.59 o
1 3 10 104189.23 102651.30 888.78 o
3 3 10 58973.02 57780.24 859.18 o
-2 4 10 2863.55 3690.01 165.30 o
0 4 10 38026.10 39212.59 469.84 o
2 4 10 1682.35 2386.60 125.44 o
-5 5 10 9498.14 9467.54 398.37 o
-3 5 10 131164.70 128346.24 1134.97 o
-1 5 10 44488.93 44302.85 521.90 o
1 5 10 39297.99 39188.52 485.20 o
3 5 10 119481.79 117233.60 1192.84 o
5 5 10 9918.21 9887.43 509.03 o
-4 6 10 200399.25 194479.70 1787.50 o
-2 6 10 31.81 428.70 120.25 o
0 6 10 281449.03 277816.44 2426.91 o
2 6 10 31.80 560.76 131.47 o
4 6 10 202216.42 196585.94 2100.51 o
-7 7 10 38217.48 36770.57 851.79 o
-5 7 10 66773.13 66954.98 876.26 o
-3 7 10 16994.94 16920.51 359.14 o
-1 7 10 18227.26 18039.01 374.21 o
1 7 10 12864.13 14047.61 307.61 o
3 7 10 16715.64 16998.02 422.33 o
5 7 10 75571.91 73261.45 1039.89 o
7 7 10 32693.47 30581.42 962.92 o
-6 8 10 33337.88 32664.56 571.53 o
-4 8 10 27962.78 28559.10 510.18 o
-2 8 10 2320.35 3296.23 192.11 o
0 8 10 121.59 339.63 139.18 o
2 8 10 2687.25 3333.12 234.03 o
4 8 10 27188.95 27536.71 602.05 o
6 8 10 34078.45 33125.60 687.49 o
-9 9 10 43527.57 41897.01 1032.35 o
-7 9 10 36638.57 35737.20 626.44 o
-5 9 10 22821.75 23124.50 477.12 o
-3 9 10 27980.92 28770.54 515.92 o
-1 9 10 5008.26 5968.11 253.86 o
1 9 10 4994.26 5655.40 302.12 o
3 9 10 31889.31 32138.87 680.73 o
5 9 10 25571.71 25849.06 609.29 o
7 9 10 32457.02 32783.05 741.90 o
9 9 10 38643.98 37532.02 1131.99 o
-8 10 10 4847.74 5716.23 501.65 o
-4 10 10 83094.06 81006.88 1465.87 o
0 10 10 142917.92 138536.55 2434.27 o
4 10 10 85644.06 81062.10 1878.59 o
8 10 10 4088.92 4439.83 484.48 o
0 1 11 106320.66 106352.14 926.23 o
-1 2 11 10395.63 11506.95 245.37 o
1 2 11 10026.48 11183.13 223.65 o
-2 3 11 69354.00 68688.49 726.61 o
0 3 11 76232.16 75566.79 770.34 o
2 3 11 63609.08 64410.68 696.10 o
-3 4 11 72936.84 72943.55 832.90 o
-1 4 11 36886.78 37891.79 497.54 o
1 4 11 40558.36 41576.04 492.24 o
3 4 11 73034.97 73206.63 795.45 o
-4 5 11 20845.06 20895.81 398.86 o
-2 5 11 22528.89 22277.82 379.98 o
0 5 11 21691.27 22318.70 387.80 o
2 5 11 17121.91 17051.18 320.79 o
4 5 11 20466.78 20888.16 429.23 o
-5 6 11 11954.14 12857.34 380.23 o
-3 6 11 59002.91 57932.68 714.22 o
-1 6 11 7837.16 8220.83 252.88 o
1 6 11 7156.80 8411.62 284.49 o
3 6 11 56667.65 56347.27 757.03 o
5 6 11 8376.92 8898.33 337.89 o
-6 7 11 28008.62 28833.05 544.92 o
-4 7 11 18206.17 17908.33 415.77 o
-2 7 11 23240.28 23292.47 435.19 o
0 7 11 47460.59 47099.88 708.16 o
2 7 11 26292.03 25997.15 514.28 o
4 7 11 16169.10 16041.71 400.91 o
6 7 11 32789.48 33140.79 688.77 o
-7 8 11 19366.15 20679.57 491.23 o
-5 8 11 14190.90 15182.14 422.73 o
-3 8 11 49508.30 49174.67 715.13 o
-1 8 11 56962.76 55757.95 805.45 o
1 8 11 53313.79 52953.97 814.84 o
3 8 11 49761.28 48197.53 825.77 o
5 8 11 14786.21 15570.08 464.68 o
7 8 11 21519.61 22458.51 596.24 o
-8 9 11 2542.71 3522.06 295.37 o
-6 9 11 53326.32 53790.19 798.30 o
-4 9 11 1785.58 2564.92 229.23 o
-2 9 11 87733.75 86164.40 1130.18 o
0 9 11 152.76 1075.85 190.93 o
2 9 11 90540.59 87492.85 1291.87 o
4 9 11 1442.62 1870.49 278.36 o
6 9 11 56624.64 54895.61 996.67 o
8 9 11 2806.89 3812.57 336.49 o
-7 10 11 29680.99 30174.46 638.15 o
-5 10 11 27793.79 27830.63 561.70 o
-3 10 11 11792.61 12667.12 439.82 o
-1 10 11 11014.14 11684.24 491.39 o
1 10 11 11066.81 11562.40 505.83 o
3 10 11 9017.89 9898.44 546.92 o
5 10 11 26917.04 25556.79 771.55 o
7 10 11 31419.78 31257.90 832.72 o
-6 11 11 41913.60 41716.64 1123.00 o
-2 11 11 46329.59 44926.93 1328.67 o
2 11 11 43951.46 42931.69 1409.13 o
6 11 11 43980.29 43846.42 1488.41 o
0 0 12 78807.58 82267.17 1894.68 o
-2 2 12 233972.81 234128.55 3039.28 o
0 2 12 48862.93 47314.25 641.42 o
2 2 12 215426.72 212486.89 3243.39 o
-1 3 12 26576.84 27096.64 464.35 o
1 3 12 29928.16 30995.47 501.31 o
-4 4 12 67758.09 66830.06 1294.01 o
-2 4 12 501.73 1413.52 167.03 o
0 4 12 49383.90 48437.18 658.23 o
2 4 12 477.17 748.12 163.68 o
4 4 12 82855.51 82023.15 1401.66 o
-3 5 12 51138.65 51462.79 732.14 o
-1 5 12 14054.73 14851.57 389.48 o
1 5 12 18354.63 18618.73 390.66 o
3 5 12 51501.54 51534.33 776.39 o
-6 6 12 69064.34 67725.63 1261.48 o
-4 6 12 216.93 825.98 183.31 o
-2 6 12 61285.93 60054.28 808.55 o
0 6 12 19893.79 20097.42 449.90 o
2 6 12 67590.92 66196.30 987.53 o
4 6 12 228.34 1031.30 186.90 o
6 6 12 63856.06 60915.92 1334.79 o
-5 7 12 38854.60 38988.45 648.23 o
-3 7 12 15511.38 15979.94 434.26 o
-1 7 12 48214.23 48365.02 792.80 o
1 7 12 48049.16 48298.20 796.86 o
3 7 12 17647.15 17591.98 487.49 o
5 7 12 37876.50 36645.43 696.21 o
-8 8 12 99509.45 94236.45 1724.70 o
-6 8 12 15338.01 16096.75 477.49 o
-4 8 12 64300.77 60714.14 854.96 o
-2 8 12 22010.80 21949.45 527.68 o
0 8 12 3789.28 5050.35 309.03 o
2 8 12 22869.94 22471.24 528.92 o
4 8 12 58942.65 56456.04 985.17 o
6 8 12 15165.15 15984.37 556.09 o
8 8 12 93976.23 87665.60 2104.53 o
-7 9 12 10926.90 12591.54 464.20 o
-5 9 12 16717.71 16878.96 492.01 o
-3 9 12 44677.13 44757.63 791.84 o
-1 9 12 40053.65 39595.31 726.68 o
1 9 12 39785.83 38690.93 849.73 o
3 9 12 46999.70 46240.75 946.43 o
5 9 12 14282.18 14879.18 553.90 o
7 9 12 10887.07 12360.00 563.06 o
-6 10 12 2971.77 4058.01 327.62 o
-4 10 12 133.61 767.65 249.78 o
-2 10 12 13113.74 13694.73 575.75 o
0 10 12 19230.95 18372.81 650.71 o
2 10 12 12829.30 13678.79 623.83 o
4 10 12 156.04 637.27 287.51 o
6 10 12 3450.03 5156.25 454.40 o
-5 11 12 9859.93 10807.97 553.36 o
-3 11 12 29647.44 29916.53 778.09 o
-1 11 12 32232.29 32871.15 841.39 o
1 11 12 32999.46 32883.85 875.66 o
3 11 12 30000.38 29965.64 878.73 o
5 11 12 9781.40 11112.83 614.94 o
0 12 12 52.87 548.86 431.86 o
0 1 13 43544.95 44619.07 672.09 o
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1 2 13 9468.34 10445.96 357.48 o
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0 3 13 21504.03 22336.27 475.85 o
2 3 13 4885.54 6169.66 305.81 o
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3 4 13 13200.15 14227.41 430.96 o
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-2 5 13 72373.59 72141.30 949.67 o
0 5 13 53071.50 52286.39 850.57 o
2 5 13 66567.23 66387.68 991.46 o
4 5 13 47161.14 46448.64 782.21 o
-5 6 13 68938.09 67717.27 984.63 o
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1 6 13 13620.73 14855.73 496.18 o
3 6 13 3876.48 4770.14 323.14 o
5 6 13 66389.81 62890.77 1010.90 o
-6 7 13 26357.62 26263.81 587.53 o
-4 7 13 1248.78 1827.03 241.15 o
-2 7 13 33153.13 33426.58 693.89 o
0 7 13 2443.22 3432.32 293.22 o
2 7 13 34755.07 34737.25 695.45 o
4 7 13 1384.13 1944.59 276.40 o
6 7 13 28046.78 27607.40 682.82 o
-7 8 13 558.86 1442.97 263.69 o
-5 8 13 37757.45 37222.69 700.76 o
-3 8 13 11923.96 13244.26 496.31 o
-1 8 13 32035.31 31529.24 726.60 o
1 8 13 29120.60 29439.20 673.62 o
3 8 13 11774.16 12817.63 534.61 o
5 8 13 38525.08 37953.95 844.07 o
7 8 13 347.44 1100.98 306.71 o
-6 9 13 16059.56 17600.25 605.78 o
-4 9 13 23141.32 24583.05 641.07 o
-2 9 13 13481.65 14189.38 536.80 o
0 9 13 8511.54 9837.62 544.71 o
2 9 13 13770.26 15678.32 646.82 o
4 9 13 23215.29 23169.50 783.66 o
6 9 13 17970.75 19111.33 732.48 o
-5 10 13 18957.77 19594.81 676.78 o
-3 10 13 2511.26 3574.25 363.19 o
-1 10 13 16526.05 17261.79 663.25 o
1 10 13 19105.75 20406.81 738.79 o
3 10 13 2666.73 3507.84 395.87 o
5 10 13 16216.46 15615.21 732.90 o
-2 11 13 23486.93 23394.55 751.18 o
0 11 13 9445.36 11046.96 624.84 o
2 11 13 20796.84 20129.47 756.15 o
-1 1 14 97205.84 97495.66 1871.90 o
1 1 14 98376.95 97552.42 1867.32 o
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