#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:34:18 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181868 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/01/98/2019867.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_2019867
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   15.7293
_cell_length_b                   15.7293
_cell_length_c                   27.9010
_exptl_crystal_F_000             4240.00
_reflns_d_resolution_high        0.7699
_cod_data_source_file            fa3358Isup2.hkl
_cod_data_source_block           I
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     ' face in I4(1)/a'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            1013.40
_shelx_f_squared_multiplier      1.000
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-y+3/4, x+1/4, z+1/4'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-y+5/4, x+3/4, z+3/4'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'y-3/4, -x-1/4, -z-1/4'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'y-1/4, -x+1/4, -z+1/4'
'-y-1/4, x-1/4, -z-1/4'
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
0 2 0 6652.08 7314.90 92.73 o
2 2 0 84.35 248.93 60.96 o
-2 4 0 47501.80 49744.54 309.73 o
0 4 0 17448.66 20222.05 196.40 o
2 4 0 19011.38 20197.01 162.34 o
4 4 0 318093.34 332880.03 2289.20 o
-4 6 0 407038.16 450022.12 3019.04 o
-2 6 0 204752.62 218146.75 1405.12 o
0 6 0 2474.00 1621.26 120.82 o
2 6 0 48972.85 48494.78 376.53 o
4 6 0 131674.91 140486.38 1036.67 o
6 6 0 5942.52 4861.94 164.16 o
-6 8 0 70339.87 70392.39 548.39 o
-4 8 0 144409.56 143194.47 1041.35 o
-2 8 0 77804.91 81828.16 614.21 o
0 8 0 57374.30 62170.31 442.39 o
2 8 0 306.73 205.22 112.77 o
4 8 0 3333.68 3164.68 138.69 o
6 8 0 3640.24 3547.66 144.88 o
8 8 0 8647.63 9756.43 240.45 o
-8 10 0 16873.32 14972.52 343.12 o
-6 10 0 64976.30 64798.99 445.45 o
-4 10 0 158958.69 156387.27 772.82 o
-2 10 0 288.76 186.98 128.35 o
0 10 0 3080.93 2943.81 160.49 o
2 10 0 374971.66 380330.19 1710.22 o
4 10 0 2597.29 3161.11 155.36 o
6 10 0 1644.67 1064.17 169.96 o
8 10 0 10999.23 11255.60 308.34 o
10 10 0 13340.35 13840.17 420.13 o
-10 12 0 7.03 54.32 238.39 o
-8 12 0 49905.85 50819.21 549.40 o
-6 12 0 1740.95 1986.67 189.39 o
-4 12 0 15436.31 14776.32 308.69 o
-2 12 0 1774.29 1563.08 160.80 o
0 12 0 8726.61 8796.59 261.31 o
2 12 0 91559.12 91788.68 586.80 o
4 12 0 10227.19 9375.00 281.13 o
6 12 0 34025.71 31298.22 480.67 o
8 12 0 84071.31 80202.27 896.36 o
10 12 0 8160.16 9182.09 376.78 o
12 12 0 3173.48 3110.10 312.78 o
-12 14 0 32627.54 30845.83 688.71 o
-10 14 0 13379.96 13834.50 483.48 o
-8 14 0 102044.37 99626.70 786.14 o
-6 14 0 25903.79 24811.03 439.26 o
-4 14 0 4799.54 5550.54 255.04 o
-2 14 0 41554.77 41151.34 426.86 o
0 14 0 19907.12 19440.77 359.48 o
2 14 0 3156.03 3235.27 253.58 o
4 14 0 2876.84 2874.31 269.02 o
6 14 0 2471.80 2583.59 261.99 o
8 14 0 3119.71 3412.52 301.41 o
10 14 0 7197.99 6713.28 399.11 o
12 14 0 26489.30 25573.68 714.27 o
14 14 0 3701.67 4365.21 478.14 o
-12 16 0 388.59 -72.47 374.60 o
-10 16 0 588.74 670.08 312.11 o
-8 16 0 6136.14 6587.09 401.64 o
-6 16 0 1398.37 1172.36 237.29 o
-4 16 0 1324.17 1540.66 223.58 o
-2 16 0 14977.36 14657.42 371.08 o
0 16 0 6400.92 6663.65 315.73 o
2 16 0 226.51 306.93 242.17 o
4 16 0 10265.76 9313.73 433.66 o
6 16 0 76872.40 77341.81 928.41 o
8 16 0 9022.14 9688.64 485.80 o
10 16 0 65625.98 66724.93 1042.16 o
12 16 0 12504.52 11930.01 607.68 o
-8 18 0 7694.67 8235.27 488.29 o
-6 18 0 83.22 117.09 242.12 o
-4 18 0 29565.39 29277.58 633.00 o
-2 18 0 75874.08 76315.88 979.27 o
0 18 0 11409.55 11413.65 428.86 o
2 18 0 2684.65 2670.70 338.97 o
4 18 0 2679.32 2300.47 348.14 o
6 18 0 8218.19 6966.18 494.35 o
8 18 0 2144.29 2080.88 450.07 o
-4 20 0 15500.88 15779.23 589.52 o
-2 20 0 7942.12 8744.42 507.29 o
0 20 0 31.80 77.42 348.14 o
2 20 0 5.77 -191.35 323.87 o
4 20 0 15803.90 15234.36 607.79 o
0 1 1 309952.97 284957.75 6745.10 o
-1 2 1 39090.29 42951.45 221.93 o
1 2 1 37.03 52.52 34.45 o
-2 3 1 3840.04 3422.39 72.60 o
0 3 1 20.48 -6.56 54.37 o
2 3 1 49013.70 50965.24 234.31 o
-3 4 1 6167.62 5995.02 99.87 o
-1 4 1 26433.38 26138.72 156.10 o
1 4 1 349685.31 361389.78 1355.92 o
3 4 1 134619.98 141525.19 617.61 o
-4 5 1 12593.93 10548.96 124.36 o
-2 5 1 189.48 258.66 79.36 o
0 5 1 66942.66 67623.85 336.75 o
2 5 1 18526.73 18600.08 141.72 o
4 5 1 157837.31 154065.91 702.66 o
-5 6 1 70513.81 73017.32 411.91 o
-3 6 1 53056.23 53985.60 319.46 o
-1 6 1 150526.02 147540.56 575.84 o
1 6 1 89947.55 89251.66 359.83 o
3 6 1 8413.50 8716.42 120.61 o
5 6 1 18439.91 20633.04 163.05 o
-6 7 1 193382.31 190714.45 975.79 o
-4 7 1 87096.61 93204.88 489.24 o
-2 7 1 64048.40 64142.54 295.76 o
0 7 1 11250.50 11890.26 156.18 o
2 7 1 6584.35 6060.65 118.93 o
4 7 1 17537.39 17513.53 164.84 o
6 7 1 4444.30 4417.12 112.34 o
-7 8 1 11591.34 10873.80 159.53 o
-5 8 1 46708.51 45760.94 301.08 o
-3 8 1 18304.30 17591.84 178.46 o
-1 8 1 2233.54 1540.60 102.02 o
1 8 1 1240.66 934.93 81.86 o
3 8 1 192.01 323.44 75.30 o
5 8 1 10214.31 10641.45 154.32 o
7 8 1 17904.09 16961.58 178.10 o
-8 9 1 464.76 449.19 113.02 o
-6 9 1 74503.96 74046.80 315.05 o
-4 9 1 29633.77 29723.24 221.19 o
-2 9 1 158.90 122.85 90.16 o
0 9 1 5089.61 5626.19 130.29 o
2 9 1 5445.07 5413.42 122.26 o
4 9 1 10143.46 9923.05 149.20 o
6 9 1 12268.19 12619.30 176.71 o
8 9 1 7182.25 7471.02 180.44 o
-9 10 1 632.45 795.15 129.08 o
-7 10 1 3885.72 4455.31 148.11 o
-5 10 1 2625.08 2999.07 113.62 o
-3 10 1 91255.09 94492.19 400.91 o
-1 10 1 1785.33 1698.09 106.97 o
1 10 1 30293.48 27043.11 216.18 o
3 10 1 81376.20 77079.43 380.42 o
5 10 1 14106.66 11607.05 177.67 o
7 10 1 1150.61 1594.02 131.77 o
9 10 1 241.85 285.46 131.46 o
-10 11 1 15636.11 15210.31 316.26 o
-8 11 1 2444.32 2853.89 154.31 o
-6 11 1 677.05 823.91 105.64 o
-4 11 1 4615.17 4992.92 141.88 o
-2 11 1 5272.08 5364.10 142.26 o
0 11 1 4787.93 4632.34 132.89 o
2 11 1 179792.53 179997.20 769.29 o
4 11 1 75139.73 72801.63 368.25 o
6 11 1 2847.73 3147.74 155.45 o
8 11 1 2099.27 2300.01 164.03 o
10 11 1 15002.54 14025.64 311.11 o
-11 12 1 3659.34 3724.35 218.99 o
-9 12 1 29618.97 28800.73 351.63 o
-7 12 1 6633.69 6805.96 187.50 o
-5 12 1 3039.07 2542.42 130.11 o
-3 12 1 12200.67 12275.20 206.72 o
-1 12 1 85.74 -22.03 99.75 o
1 12 1 1399.81 1162.06 113.54 o
3 12 1 44999.89 42990.55 304.08 o
5 12 1 1971.56 2260.07 150.90 o
7 12 1 19.81 95.20 142.70 o
9 12 1 34397.81 35219.75 405.96 o
11 12 1 43.47 95.85 174.46 o
-12 13 1 2063.16 2153.78 224.53 o
-10 13 1 1961.20 1963.74 200.39 o
-8 13 1 96790.90 95678.20 532.50 o
-6 13 1 7479.54 7705.61 194.93 o
-4 13 1 1450.19 1531.86 129.15 o
-2 13 1 5.90 34.76 103.76 o
0 13 1 27657.14 25899.99 254.92 o
2 13 1 657.01 589.87 128.67 o
4 13 1 3516.02 3760.10 182.46 o
6 13 1 2496.79 2624.18 176.70 o
8 13 1 10039.15 10309.09 273.61 o
10 13 1 3909.81 3443.09 220.15 o
12 13 1 4769.80 4934.92 269.11 o
-13 14 1 6417.47 6481.01 330.55 o
-11 14 1 254.01 328.69 205.69 o
-9 14 1 56540.50 56325.38 511.92 o
-7 14 1 453.15 480.80 141.69 o
-5 14 1 10208.04 10499.86 233.44 o
-3 14 1 30718.66 29885.03 278.31 o
-1 14 1 102.16 28.07 110.52 o
1 14 1 161.95 66.51 135.70 o
3 14 1 24625.24 23103.93 357.33 o
5 14 1 3973.01 3238.28 193.05 o
7 14 1 2788.81 3020.50 202.80 o
9 14 1 10495.88 9990.96 297.63 o
11 14 1 5171.40 5356.59 285.37 o
13 14 1 836.47 822.70 252.53 o
-12 15 1 10757.60 10043.00 383.74 o
-10 15 1 1054.18 1060.31 209.43 o
-8 15 1 399.22 349.21 168.83 o
-6 15 1 15.98 153.95 137.25 o
-4 15 1 3.41 6.31 124.85 o
-2 15 1 18172.26 17875.88 251.51 o
0 15 1 414.74 432.02 141.96 o
2 15 1 227.12 51.62 159.80 o
4 15 1 2530.42 2587.08 208.67 o
6 15 1 30123.38 28958.36 427.35 o
8 15 1 2898.41 3117.77 246.86 o
10 15 1 47000.75 46104.14 588.77 o
12 15 1 12904.54 12691.06 400.96 o
-11 16 1 4621.48 4942.65 308.02 o
-9 16 1 301.29 324.12 206.66 o
-7 16 1 1085.22 907.38 167.17 o
-5 16 1 23.56 -52.27 143.40 o
-3 16 1 2415.17 2289.06 167.43 o
-1 16 1 68.90 27.88 142.59 o
1 16 1 22633.06 23334.13 351.61 o
3 16 1 22176.87 21281.70 397.89 o
5 16 1 600.76 509.05 203.79 o
7 16 1 6823.47 6835.58 302.73 o
9 16 1 32006.93 32750.61 555.73 o
11 16 1 818.11 698.64 266.82 o
-10 17 1 70.97 58.65 230.22 o
-8 17 1 5534.24 6254.65 291.27 o
-6 17 1 3494.70 3490.72 213.14 o
-4 17 1 4309.05 4665.08 220.67 o
-2 17 1 4228.02 4025.56 214.95 o
0 17 1 26723.59 26919.60 389.03 o
2 17 1 10688.86 11004.64 304.81 o
4 17 1 3.41 -280.21 194.34 o
6 17 1 313.94 146.26 225.32 o
8 17 1 64.92 -152.75 245.57 o
10 17 1 3621.20 3661.30 323.07 o
-9 18 1 1109.41 1200.81 267.84 o
-7 18 1 15405.74 15260.67 388.15 o
-5 18 1 7278.40 7643.97 283.87 o
-3 18 1 23297.99 22229.33 432.34 o
-1 18 1 26238.98 26563.26 453.90 o
1 18 1 1046.75 919.76 190.40 o
3 18 1 233.99 502.16 211.20 o
5 18 1 149.08 26.93 233.64 o
7 18 1 13940.52 14517.36 453.66 o
9 18 1 10711.83 11418.90 437.66 o
-6 19 1 1859.66 2185.96 251.13 o
-4 19 1 1304.97 1047.29 215.46 o
-2 19 1 17413.18 16587.83 445.50 o
0 19 1 606.48 489.21 215.62 o
2 19 1 9539.59 9574.74 327.90 o
4 19 1 5.99 173.55 240.98 o
6 19 1 731.25 620.22 271.39 o
-3 20 1 9741.16 10720.46 369.44 o
-1 20 1 23481.93 24241.58 517.57 o
1 20 1 1818.70 1621.96 268.75 o
3 20 1 419.75 521.93 244.83 o
1 1 2 168131.22 183787.66 656.40 o
0 2 2 106857.98 117097.66 471.78 o
2 2 2 14022.93 14369.00 87.64 o
-1 3 2 18829.62 21052.42 128.47 o
1 3 2 13732.76 14938.42 112.88 o
3 3 2 13283.79 14648.28 128.55 o
-2 4 2 20218.07 21429.75 149.61 o
0 4 2 281262.03 304130.00 1355.43 o
2 4 2 901.86 990.42 64.09 o
4 4 2 295.01 748.70 72.93 o
-3 5 2 277.87 171.07 70.89 o
-1 5 2 63146.41 63222.21 336.32 o
1 5 2 53731.09 56926.97 207.81 o
3 5 2 203642.67 194260.14 803.74 o
5 5 2 14527.59 16142.11 158.34 o
-4 6 2 11083.73 11587.82 141.33 o
-2 6 2 13485.64 14070.23 166.14 o
0 6 2 54413.46 58707.68 241.82 o
2 6 2 35381.90 37516.89 233.23 o
4 6 2 8976.67 9093.18 136.03 o
6 6 2 30628.15 33218.09 215.06 o
-5 7 2 270568.69 285294.72 1475.55 o
-3 7 2 113922.07 116668.20 525.18 o
-1 7 2 7726.69 8592.81 150.37 o
1 7 2 401.90 345.59 77.54 o
3 7 2 8224.16 8486.96 122.23 o
5 7 2 38241.82 36147.35 220.20 o
7 7 2 261559.52 265627.06 1394.09 o
-6 8 2 24507.97 24319.52 219.66 o
-4 8 2 24044.95 24851.84 196.15 o
-2 8 2 2267.30 2391.13 113.50 o
0 8 2 1856.84 1342.13 90.09 o
2 8 2 280.82 46.12 73.71 o
4 8 2 18820.38 20714.31 182.98 o
6 8 2 4049.21 3846.56 118.10 o
8 8 2 7096.97 7260.39 159.48 o
-7 9 2 47112.76 46833.58 297.52 o
-5 9 2 65.95 159.39 84.11 o
-3 9 2 100384.42 100577.91 436.87 o
-1 9 2 34307.98 33164.55 230.37 o
1 9 2 1451.42 1189.10 89.84 o
3 9 2 7885.96 8155.18 144.32 o
5 9 2 2536.87 2833.07 114.29 o
7 9 2 18718.33 18259.20 203.59 o
9 9 2 2117.23 1662.58 132.19 o
-8 10 2 266.76 138.34 116.29 o
-6 10 2 1016.99 1072.83 101.98 o
-4 10 2 27285.39 28539.31 231.11 o
-2 10 2 7134.82 6590.70 156.35 o
0 10 2 1274.49 1382.59 98.18 o
2 10 2 66802.61 67933.30 357.38 o
4 10 2 39619.52 41546.48 259.94 o
6 10 2 2341.03 2583.73 121.84 o
8 10 2 16768.37 16457.59 259.28 o
10 10 2 136.25 305.81 141.28 o
-9 11 2 3918.56 4126.79 186.47 o
-7 11 2 827.32 687.97 121.48 o
-5 11 2 774.44 922.17 104.41 o
-3 11 2 10208.50 10042.23 184.91 o
-1 11 2 563.88 475.21 97.45 o
1 11 2 47716.29 47261.72 288.56 o
3 11 2 414152.91 414048.28 2234.37 o
5 11 2 6728.86 6181.16 166.25 o
7 11 2 1373.06 1630.98 148.59 o
9 11 2 8546.89 7965.16 232.25 o
11 11 2 22802.00 21780.31 361.14 o
-10 12 2 387.05 287.38 171.41 o
-8 12 2 6703.63 6522.35 193.59 o
-6 12 2 799.05 809.66 120.14 o
-4 12 2 10939.37 10779.10 198.02 o
-2 12 2 12866.57 12285.02 200.33 o
0 12 2 26940.28 25239.24 245.59 o
2 12 2 8286.70 8680.28 178.16 o
4 12 2 1465.62 1302.55 132.91 o
6 12 2 7.49 8.03 130.49 o
8 12 2 309.01 554.20 158.98 o
10 12 2 52.99 62.18 167.00 o
12 12 2 227.54 262.58 192.18 o
-11 13 2 7787.38 8304.56 286.23 o
-9 13 2 151931.19 150222.53 1094.97 o
-7 13 2 14396.23 14190.02 260.59 o
-5 13 2 3382.92 3698.81 155.62 o
-3 13 2 1322.76 1292.24 120.34 o
-1 13 2 1524.51 1708.46 125.89 o
1 13 2 1030.90 1246.58 123.38 o
3 13 2 129.64 283.25 129.31 o
5 13 2 1706.79 1895.08 165.06 o
7 13 2 237.04 403.50 158.92 o
9 13 2 15977.21 15123.05 349.95 o
11 13 2 1370.01 1511.88 217.88 o
13 13 2 5528.35 6409.64 304.02 o
-12 14 2 1216.95 1266.30 239.34 o
-10 14 2 15356.94 15113.48 364.04 o
-8 14 2 573.93 829.59 163.47 o
-6 14 2 284.49 232.64 130.75 o
-4 14 2 7464.22 7460.35 182.31 o
-2 14 2 6380.54 7349.34 175.98 o
0 14 2 10471.24 10658.96 212.81 o
2 14 2 3019.70 3333.83 190.28 o
4 14 2 812.57 956.29 167.13 o
6 14 2 2945.25 2663.98 194.31 o
8 14 2 72.19 50.85 180.81 o
10 14 2 2049.10 2087.36 235.70 o
12 14 2 4353.01 4654.93 282.25 o
14 14 2 4438.43 4240.30 329.58 o
-13 15 2 14.48 111.02 246.97 o
-11 15 2 1030.59 1376.39 229.29 o
-9 15 2 3573.86 3911.66 239.68 o
-7 15 2 3855.48 3770.03 192.40 o
-5 15 2 7836.98 8413.83 226.96 o
-3 15 2 43795.49 45442.92 353.80 o
-1 15 2 221.50 43.73 125.56 o
1 15 2 3178.10 2777.23 183.16 o
3 15 2 29538.68 30038.43 417.18 o
5 15 2 4005.69 4862.86 230.27 o
7 15 2 9209.23 9189.86 289.60 o
9 15 2 31385.71 30816.99 491.55 o
11 15 2 33424.30 33489.46 548.86 o
13 15 2 9340.20 8594.09 391.06 o
-12 16 2 222.57 294.95 258.28 o
-10 16 2 1515.02 1334.98 241.38 o
-8 16 2 10375.60 10255.47 299.08 o
-6 16 2 523.51 475.81 154.29 o
-4 16 2 548.49 429.57 151.26 o
-2 16 2 3285.62 3695.11 185.74 o
0 16 2 778.14 809.02 165.12 o
2 16 2 5935.55 5770.66 242.49 o
4 16 2 4949.58 5019.00 252.65 o
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12 16 2 53.88 208.61 275.75 o
-11 17 2 732.03 598.31 268.43 o
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1 17 2 45598.37 42889.44 464.81 o
3 17 2 90.01 -57.42 197.10 o
5 17 2 212.73 447.94 218.95 o
7 17 2 2529.98 2438.42 260.58 o
9 17 2 24921.81 24644.65 548.68 o
11 17 2 16000.79 16565.14 482.10 o
-8 18 2 2550.16 2592.35 264.00 o
-6 18 2 2934.75 3127.18 235.75 o
-4 18 2 6473.08 6235.47 275.51 o
-2 18 2 22.27 263.15 201.74 o
0 18 2 4823.19 5074.83 246.85 o
2 18 2 26.07 67.99 196.18 o
4 18 2 4267.72 4130.85 281.67 o
6 18 2 2651.40 2878.73 277.45 o
8 18 2 105.35 39.62 271.36 o
-7 19 2 4636.32 5005.66 305.47 o
-5 19 2 3445.82 3456.85 252.02 o
-3 19 2 1123.36 1290.98 232.81 o
-1 19 2 45432.34 44257.55 569.87 o
1 19 2 39476.40 40347.59 538.01 o
3 19 2 19.89 -139.77 215.84 o
5 19 2 3557.93 3188.26 300.56 o
7 19 2 359.51 426.29 278.36 o
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0 20 2 10.45 100.93 233.62 o
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4 20 2 339.74 -185.52 245.40 o
0 1 3 274938.72 287953.22 1199.87 o
-1 2 3 4824.60 5698.88 81.54 o
1 2 3 90112.23 95331.73 356.91 o
-2 3 3 17459.62 16580.16 125.94 o
0 3 3 15289.83 15837.93 108.65 o
2 3 3 181007.94 191913.39 692.77 o
-3 4 3 2602.32 2707.19 85.01 o
-1 4 3 47575.06 50647.97 274.55 o
1 4 3 7727.64 8788.58 116.15 o
3 4 3 93.36 201.63 64.23 o
-4 5 3 35962.35 37902.67 178.23 o
-2 5 3 42985.41 42745.14 245.15 o
0 5 3 1157.74 1673.52 77.14 o
2 5 3 177.50 193.68 63.41 o
4 5 3 2434.24 2097.41 85.83 o
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