#------------------------------------------------------------------------------
#$Date: 2020-11-24 07:09:22 +0200 (Tue, 24 Nov 2020) $
#$Revision: 259225 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/10/87/2108700.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_2108700
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_length_a                   4.5226
_cell_length_b                   4.5226
_cell_length_c                   9.1473
_exptl_crystal_F_000             315.24
_reflns_d_resolution_high        0.7317
_cod_data_source_file            dk5100Isup2.hkl
_cod_data_source_block           I
_shelx_title                     ' la020_k2_a.res in P4/nmm'
_shelx_refln_list_code           4
_shelx_f_calc_maximum            224.03
_shelx_f_squared_multiplier      1.000
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, -z'
'-y+1/2, x+1/2, z'
'-x, -y, z'
'y+1/2, -x+1/2, z'
'y, -x, -z'
'-y, x, -z'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -z'
'y, x, -z'
'-y, -x, -z'
'x+1/2, y+1/2, -z'
'-x, y, z'
'x, -y, z'
'-y+1/2, -x+1/2, z'
'y+1/2, x+1/2, z'
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 0 10888.93 11021.57 183.54 o
0 2 0 50188.17 48065.66 1173.16 o
2 2 0 33457.30 35171.47 522.48 o
1 3 0 7171.56 7019.81 59.56 o
3 3 0 5511.49 5411.03 84.85 o
0 4 0 18024.22 19064.02 277.66 o
2 4 0 13873.25 14048.64 258.13 o
4 4 0 7076.88 6883.93 135.26 o
1 5 0 4313.74 4592.77 65.02 o
3 5 0 3394.61 3328.65 38.81 o
0 6 0 5818.17 5816.41 94.54 o
0 1 1 902.48 862.38 5.77 o
1 1 1 20725.14 21353.16 229.40 o
0 2 1 0.20 26.08 3.96 o
1 2 1 586.86 590.15 7.26 o
2 2 1 32.65 44.89 4.73 o
0 3 1 423.74 451.18 8.89 o
1 3 1 8180.48 8386.88 60.89 o
2 3 1 333.99 338.82 3.85 o
3 3 1 4139.44 4138.17 32.74 o
0 4 1 153.74 205.16 5.89 o
1 4 1 274.73 292.79 5.19 o
2 4 1 199.41 248.77 7.57 o
3 4 1 191.92 194.23 4.58 o
4 4 1 257.08 284.10 7.71 o
0 5 1 191.92 213.68 7.02 o
1 5 1 2333.07 2494.73 32.13 o
2 5 1 160.37 167.10 5.56 o
3 5 1 1424.64 1333.91 19.55 o
0 6 1 258.05 327.17 11.25 o
1 6 1 111.40 110.47 7.24 o
0 0 2 376.83 404.41 35.20 o
0 1 2 3555.92 3491.83 36.87 o
1 1 2 26902.40 26741.16 335.84 o
0 2 2 551.82 532.53 4.79 o
1 2 2 2349.75 2255.27 18.95 o
2 2 2 666.47 631.56 9.30 o
0 3 2 1749.63 1759.39 20.68 o
1 3 2 11489.17 11723.08 113.18 o
2 3 2 1354.82 1346.31 13.38 o
3 3 2 6160.33 6080.79 50.07 o
0 4 2 802.86 825.71 12.21 o
1 4 2 1074.99 1080.04 12.68 o
2 4 2 818.26 837.47 9.56 o
3 4 2 718.25 710.07 5.49 o
4 4 2 731.21 741.84 8.91 o
0 5 2 718.25 762.73 10.26 o
1 5 2 3641.98 3832.08 53.10 o
2 5 2 602.23 624.98 10.58 o
3 5 2 2297.55 2136.11 36.02 o
0 6 2 682.22 754.97 12.98 o
1 6 2 440.57 413.76 9.71 o
0 1 3 15573.66 15000.34 128.28 o
1 1 3 763.78 732.72 8.13 o
0 2 3 20584.80 20697.45 258.71 o
1 2 3 10817.19 10751.60 94.09 o
2 2 3 13973.33 14136.86 179.92 o
0 3 3 8183.46 8137.88 79.88 o
1 3 3 967.85 961.13 11.50 o
2 3 3 6454.12 6425.67 44.68 o
3 3 3 1004.53 984.47 10.83 o
0 4 3 7377.78 7720.84 101.49 o
1 4 3 5214.00 5294.47 68.30 o
2 4 3 5589.25 5730.86 54.14 o
3 4 3 3559.10 3481.31 39.80 o
4 4 3 2730.42 2509.08 31.45 o
0 5 3 3559.10 3653.95 55.29 o
1 5 3 935.71 1026.86 15.83 o
2 5 3 2989.40 3011.90 42.44 o
3 5 3 826.64 854.54 14.42 o
0 6 3 2218.30 2076.78 71.40 o
0 0 4 4482.44 4286.93 55.37 o
0 1 4 686.59 706.89 16.37 o
1 1 4 4355.17 4227.80 32.24 o
0 2 4 2436.42 2433.31 35.22 o
1 2 4 496.07 490.24 4.20 o
2 2 4 1429.09 1448.31 15.84 o
0 3 4 385.29 438.85 8.57 o
1 3 4 1592.58 1657.23 36.27 o
2 3 4 310.64 315.69 4.37 o
3 3 4 643.08 688.15 15.21 o
0 4 4 547.39 593.35 9.35 o
1 4 4 255.18 272.94 5.19 o
2 4 4 346.72 372.64 5.13 o
3 4 4 176.90 175.80 5.52 o
4 4 4 87.83 69.91 9.19 o
0 5 4 176.90 200.53 8.75 o
1 5 4 285.46 328.70 6.17 o
2 5 4 148.55 160.53 6.40 o
3 5 4 139.93 128.22 7.19 o
0 0 5 2655.01 2541.49 22.43 o
0 1 5 12002.10 11458.42 170.42 o
1 1 5 4697.29 4572.61 63.82 o
0 2 5 1453.26 1465.76 22.87 o
1 2 5 9067.89 9085.98 59.55 o
2 2 5 810.63 841.01 7.49 o
0 3 5 7137.16 7113.94 88.74 o
1 3 5 1932.71 1965.03 15.63 o
2 3 5 5754.51 5728.25 44.81 o
3 3 5 896.59 913.24 12.90 o
0 4 5 253.66 296.92 7.42 o
1 4 5 4718.46 4721.34 90.97 o
2 4 5 141.38 170.41 5.40 o
3 4 5 3293.27 3200.04 33.15 o
4 4 5 22.76 31.23 10.05 o
0 5 5 3293.27 3286.54 123.36 o
1 5 5 445.55 475.07 6.87 o
2 5 5 2792.78 2726.75 46.44 o
0 0 6 1189.39 1210.47 14.69 o
0 1 6 10261.75 9646.06 264.02 o
1 1 6 5404.65 5167.13 116.40 o
0 2 6 589.68 597.23 10.05 o
1 2 6 7988.40 8011.48 70.21 o
2 2 6 282.54 305.81 6.30 o
0 3 6 6395.02 6215.21 87.92 o
1 3 6 2470.97 2474.32 20.77 o
2 3 6 5216.08 5226.79 32.99 o
3 3 6 1250.75 1260.45 14.53 o
0 4 6 52.13 85.82 7.77 o
1 4 6 4315.77 4414.71 34.99 o
2 4 6 17.77 36.89 5.98 o
3 4 6 3055.56 2896.42 30.60 o
0 5 6 3055.56 2866.50 72.82 o
1 5 6 678.69 652.60 9.10 o
2 5 6 2606.56 2448.57 37.57 o
0 0 7 2537.84 2533.67 15.25 o
0 1 7 92.85 112.81 8.67 o
1 1 7 2299.19 2249.07 64.71 o
0 2 7 1568.83 1518.57 20.33 o
1 2 7 76.18 89.71 5.09 o
2 2 7 992.99 989.44 14.41 o
0 3 7 63.52 74.35 7.96 o
1 3 7 911.71 929.14 12.10 o
2 3 7 53.14 60.77 5.34 o
3 3 7 393.34 405.18 8.44 o
0 4 7 413.01 421.42 17.62 o
1 4 7 44.41 62.64 7.30 o
2 4 7 268.56 279.27 6.64 o
3 4 7 30.88 34.23 6.92 o
0 5 7 30.88 25.93 12.09 o
1 5 7 184.61 163.77 9.87 o
0 0 8 12234.97 12249.44 70.01 o
0 1 8 3837.92 3812.37 31.54 o
1 1 8 361.78 408.52 7.98 o
0 2 8 8928.42 8610.87 311.99 o
1 2 8 3122.75 3016.69 50.46 o
2 2 8 6677.13 6574.93 151.69 o
0 3 8 2577.38 2371.33 154.01 o
1 3 8 530.62 538.80 8.66 o
2 3 8 2151.17 2105.50 32.09 o
3 3 8 586.31 579.27 13.92 o
0 4 8 3969.53 3720.75 78.62 o
1 4 8 1812.36 1681.44 41.68 o
2 4 8 3141.02 2921.29 54.40 o
0 0 9 136.85 162.19 12.28 o
0 1 9 636.34 650.13 7.04 o
1 1 9 7694.69 7876.73 50.61 o
0 2 9 225.55 233.32 8.22 o
1 2 9 522.05 585.01 30.61 o
2 2 9 295.97 290.72 9.05 o
0 3 9 435.73 414.03 36.08 o
1 3 9 4399.28 4265.08 89.23 o
2 3 9 369.16 350.78 6.80 o
3 3 9 2689.86 2522.31 78.78 o
0 4 9 374.53 360.78 17.06 o
1 4 9 316.75 308.13 9.90 o
0 0 10 160.14 135.36 12.49 o
0 1 10 33.42 39.84 6.55 o
1 1 10 3151.03 3302.58 31.19 o
0 2 10 59.20 62.72 8.40 o
1 2 10 27.90 32.43 7.31 o
2 2 10 15.54 42.68 11.75 o
0 3 10 22.94 22.94 9.89 o
1 3 10 1708.26 1675.41 24.35 o
2 3 10 18.61 16.69 7.87 o
0 0 11 8911.12 9238.79 65.09 o
0 1 11 47.31 75.38 7.35 o
1 1 11 886.47 934.11 35.98 o
0 2 11 6950.09 7149.21 84.74 o
1 2 11 40.16 55.05 6.94 o
2 2 11 5504.92 5572.13 40.60 o
0 0 12 20.49 21.33 14.91 o
0 1 12 114.42 125.99 8.27 o
1 1 12 2463.11 2495.27 21.96 o