#------------------------------------------------------------------------------
#$Date: 2016-04-06 16:40:35 +0300 (Wed, 06 Apr 2016) $
#$Revision: 181870 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/02/00/2020008.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_2020008
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.8299(6)
_cell_length_b                   3.8299(6)
_cell_length_c                   22.656(3)
_exptl_crystal_F_000             270
_reflns_d_resolution_high        0.7349
_cod_data_source_file            fa3364IIsup3.hkl
_cod_data_source_block           II
#BEGIN Tags that were not found in dictionaries:
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            197.11
_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'
'-x+y, -x, z'
'y, x, -z'
'x-y, -y, -z'
'-x, -x+y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z'
'-x+y, y, z'
'x, x-y, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'x+1/3, x-y+2/3, z+2/3'
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 2 0 28125.70 27290.40 167.40 o
0 3 0 12586.00 13472.80 178.91 o
-2 4 0 9462.04 9407.67 150.32 o
-1 1 1 2530.51 2534.96 38.89 o
0 2 1 1325.82 1385.73 30.98 o
-2 3 1 871.98 858.58 19.85 o
-4 4 1 265.89 275.65 32.42 o
-1 4 1 403.21 383.46 25.70 o
-3 5 1 170.71 236.25 42.47 o
0 1 2 4552.18 4428.41 53.82 o
-2 2 2 2621.60 2750.29 42.77 o
-1 3 2 1543.87 1550.70 28.55 o
-3 4 2 663.31 663.26 31.19 o
0 4 2 470.27 400.06 40.35 o
-2 5 2 345.42 386.83 43.68 o
-1 2 3 119.58 126.86 6.27 o
-3 3 3 45.09 46.56 8.70 o
0 3 3 45.09 51.84 10.38 o
-2 4 3 28.30 29.54 6.79 o
-1 1 4 37491.20 38851.00 474.14 o
0 2 4 20126.50 20917.70 200.10 o
-2 3 4 13530.00 13102.90 133.15 o
-4 4 4 5843.72 5474.39 161.68 o
-1 4 4 7520.35 7105.11 145.06 o
-3 5 4 4605.44 4554.34 268.61 o
0 1 5 6556.50 7240.48 92.83 o
-2 2 5 3588.60 3675.43 62.11 o
-1 3 5 2476.78 2592.77 41.36 o
-3 4 5 1301.14 1269.76 45.35 o
0 4 5 938.48 893.47 89.91 o
-2 5 5 672.11 614.66 51.73 o
0 0 6 8436.98 7492.98 254.96 o
-1 2 6 4605.65 4569.16 52.06 o
-3 3 6 1851.53 1727.06 53.32 o
0 3 6 1851.53 1986.15 69.93 o
-2 4 6 1299.29 1270.51 44.68 o
-1 1 7 319.75 365.82 17.98 o
0 2 7 207.51 229.83 13.40 o
-2 3 7 192.35 192.84 15.02 o
-4 4 7 212.93 193.87 28.55 o
-1 4 7 204.79 208.28 19.55 o
0 1 8 21392.30 20172.50 190.97 o
-2 2 8 12732.40 13500.90 154.92 o
-1 3 8 8774.75 8625.69 102.73 o
-3 4 8 4904.83 4930.75 93.11 o
0 4 8 3806.87 3718.68 191.59 o
-2 5 8 2996.62 2889.63 143.79 o
0 0 9 9971.63 9449.52 221.02 o
-1 2 9 5600.60 5714.10 69.86 o
-3 3 9 2894.58 2752.78 81.59 o
0 3 9 2894.58 2917.26 100.11 o
-2 4 9 2146.05 2097.62 60.95 o
-1 1 10 9867.14 9424.92 149.22 o
0 2 10 6051.47 6422.67 102.32 o
-2 3 10 4126.31 3953.99 79.42 o
-4 4 10 1712.71 1863.80 119.13 o
-1 4 10 2234.11 2276.80 77.99 o
0 1 11 556.66 564.72 23.55 o
-2 2 11 434.41 472.72 21.08 o
-1 3 11 399.66 402.64 22.49 o
-3 4 11 379.34 385.93 29.56 o
0 4 11 370.43 357.31 85.66 o
0 0 12 11358.70 12555.90 296.51 o
-1 2 12 6980.21 7363.26 100.65 o
-3 3 12 3479.84 3716.66 136.03 o
0 3 12 3479.84 3482.17 107.44 o
-2 4 12 2616.95 2538.68 71.30 o
-1 1 13 6051.38 5811.23 101.27 o
0 2 13 4231.27 4090.71 90.57 o
-2 3 13 3116.72 3065.65 65.61 o
-1 4 13 1715.39 1824.37 72.94 o
0 1 14 12057.50 10765.80 151.97 o
-2 2 14 8231.58 8180.73 118.61 o
-1 3 14 6011.35 6548.89 136.91 o
-3 4 14 3517.74 3606.98 102.07 o
0 0 15 247.29 245.43 35.45 o
-1 2 15 224.90 249.04 15.38 o
-3 3 15 233.87 248.54 36.05 o
0 3 15 233.87 247.51 35.49 o
-2 4 15 240.74 247.04 26.06 o
-1 1 16 3497.19 3282.71 83.40 o
0 2 16 2324.49 2510.11 74.12 o
-2 3 16 1639.14 1581.16 54.55 o
-1 4 16 905.71 1187.28 110.81 o
0 1 17 3182.37 2689.58 74.29 o
-2 2 17 2307.40 2363.37 62.07 o
-1 3 17 1686.65 1839.07 63.05 o
-3 4 17 890.41 878.98 83.72 o
0 0 18 13805.80 14607.30 362.70 o
-1 2 18 9991.37 10180.60 126.43 o
-3 3 18 5838.36 5371.08 184.63 o
0 3 18 5838.36 6249.56 204.80 o
-2 4 18 4583.97 5111.96 327.71 o
-1 1 19 41.33 37.88 10.61 o
0 2 19 29.49 29.65 9.88 o
-2 3 19 27.34 22.32 8.92 <
0 1 20 1268.91 1165.65 56.44 o
-2 2 20 857.92 817.25 55.69 o
-1 3 20 607.31 745.78 46.86 o
0 0 21 1071.08 1487.62 146.17 o
-1 2 21 746.29 795.83 43.40 o
-3 3 21 348.01 395.88 83.59 o
0 3 21 348.01 408.33 61.08 o
-1 1 22 10283.40 10030.30 245.41 o
0 2 22 7892.72 7586.45 225.99 o
-2 3 22 6165.72 6394.31 198.61 o
0 1 23 407.75 463.05 44.17 o
-2 2 23 265.42 305.11 46.23 o
-1 3 23 168.06 205.64 55.56 o
0 0 24 796.45 1026.80 124.35 o
-1 2 24 556.78 539.86 36.26 o
-1 1 25 75.37 112.17 22.32 o
0 2 25 41.77 76.37 22.00 o
0 1 26 6823.68 8363.76 237.43 o
-2 2 26 5347.14 3317.80 247.49 o
0 0 27 1076.41 1286.64 135.76 o
-1 2 27 768.51 1212.55 172.26 o
-1 1 28 765.62 879.08 87.05 o
0 1 29 94.60 110.23 43.42 <
0 0 30 3805.74 4005.65 258.53 o