#------------------------------------------------------------------------------
#$Date: 2020-01-01 10:04:04 +0200 (Wed, 01 Jan 2020) $
#$Revision: 246419 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/30/06/2300664.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_2300664
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.7705(6)
_cell_length_b                   6.7705(6)
_cell_length_c                   4.7044(2)
_exptl_crystal_F_000             342
_reflns_d_resolution_high        1.0903
_cod_data_source_file            pd5113synchrotronsup3.hkl
_cod_data_source_block           synchrotron
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            71.35
_shelx_f_squared_multiplier      1.000
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'-y, -x, -z'
'-x+y, y, -z'
'x, x-y, -z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z+1/2'
'-y, x-y, -z+1/2'
'-x+y, -x, -z+1/2'
'-y, -x, z+1/2'
'-x+y, y, z+1/2'
'x, x-y, z+1/2'
'y, x, z'
'x-y, -y, z'
'-x, -x+y, 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
0 0 6 633.96 845.57 8.15 o
1 0 2 4630.47 5090.74 29.12 o
1 0 4 18.94 26.43 0.47 o
1 0 6 454.13 572.70 2.36 o
2 -1 1 920.79 883.49 4.28 o
2 -1 3 346.85 353.44 1.88 o
2 -1 4 160.76 162.10 1.28 o
2 -1 5 81.52 97.33 1.07 o
2 -1 6 1530.77 1712.18 4.89 o
2 -1 7 30.30 27.18 0.68 o
2 0 2 798.18 633.66 4.47 o
2 0 4 469.05 433.44 2.55 o
2 0 6 119.17 135.92 1.34 o
3 -1 2 43.26 57.60 0.75 o
3 -1 3 4319.31 4854.91 24.29 o
3 -1 4 1721.19 2092.53 5.38 o
3 -1 5 1421.98 1547.52 4.22 o
3 -1 6 1.29 2.26 0.23 o
3 -1 7 401.33 370.64 2.33 o
3 0 2 447.50 344.23 5.04 o
3 0 4 3576.85 3362.88 13.75 o
3 0 6 81.89 92.86 1.58 o
4 -2 0 700.95 550.43 3.82 o
4 -2 1 1686.31 1482.74 8.84 o
4 -2 3 896.86 973.84 4.14 o
4 -2 4 239.50 270.57 2.41 o
4 -2 5 317.13 356.05 4.26 o
4 -2 6 997.91 1014.03 6.45 o
4 -2 7 88.53 76.21 2.60 o
4 -1 0 814.60 655.46 4.88 o
4 -1 1 357.60 266.70 3.56 o
4 -1 2 701.38 806.11 3.24 o
4 -1 3 221.50 194.09 1.44 o
4 -1 4 288.88 286.04 1.70 o
4 -1 5 81.98 90.45 1.18 o
4 -1 6 111.07 107.82 1.31 o
4 -1 7 18.07 14.03 0.91 o
4 0 4 450.71 435.70 5.48 o
4 0 6 1001.59 972.21 9.38 o
5 -2 0 665.31 848.57 4.02 o
5 -2 1 1536.51 1469.50 7.61 o
5 -2 2 511.33 510.60 2.89 o
5 -2 3 825.96 971.30 3.55 o
5 -2 4 207.60 212.76 1.66 o
5 -2 5 311.71 294.82 2.45 o
5 -2 6 89.41 87.12 1.48 o
5 -1 2 395.64 331.80 3.47 o
5 -1 3 10.68 13.27 0.47 o
5 -1 4 1934.72 1975.82 10.34 o
5 -1 5 4.11 5.23 0.38 o
5 -1 6 91.40 69.71 1.51 o
5 0 4 1029.97 1073.08 9.32 o
5 0 6 1259.19 1038.15 10.35 o
6 -3 3 2365.32 2252.19 11.77 o
6 -3 4 75.83 73.46 2.10 o
6 -3 5 950.75 927.93 7.78 o
6 -3 6 783.74 724.19 8.91 o
6 -2 1 104.03 119.74 2.11 o
6 -2 2 102.00 100.35 1.75 o
6 -2 3 65.10 63.55 1.23 o
6 -2 4 1054.83 1191.35 5.93 o
6 -2 5 22.21 18.38 0.77 o
6 -2 6 8.75 7.57 0.99 o
6 -1 1 670.78 587.52 4.36 o
6 -1 2 50.39 46.13 1.11 o
6 -1 3 396.82 351.70 3.65 o
6 -1 4 375.71 351.60 4.22 o
6 -1 5 168.22 178.04 3.93 o
6 -1 6 17.04 14.51 1.34 o
7 -3 0 306.11 311.86 4.46 o
7 -3 1 517.99 423.85 3.71 o
7 -3 2 227.14 287.62 4.11 o
7 -3 3 316.15 315.56 3.20 o
7 -3 4 132.68 155.00 2.42 o
7 -3 5 130.98 111.74 2.16 o
7 -2 0 867.46 1016.83 5.51 o
7 -2 1 817.84 855.26 6.49 o
7 -2 2 1078.70 1329.77 7.41 o
7 -2 3 507.51 519.62 3.58 o
7 -2 4 378.94 504.35 6.28 o
7 -2 5 227.62 230.59 4.54 o
7 -1 2 177.66 124.96 3.47 o
7 -1 3 164.68 146.24 3.77 o
7 -1 4 895.32 737.90 8.83 o
7 -1 5 88.19 60.27 2.61 o
8 -4 2 11.31 13.71 1.34 o
8 -4 3 123.44 134.14 3.76 o
8 -4 4 1316.02 1056.33 9.95 o
8 -4 5 48.47 31.36 1.83 o
8 -3 1 35.80 35.89 1.25 o
8 -3 2 1134.21 1251.89 9.15 o
8 -3 3 23.36 26.35 1.27 o
8 -3 5 11.20 10.37 0.88 o
8 -2 0 936.16 1105.35 6.19 o
8 -2 1 684.42 852.80 5.51 o
8 -2 2 12.66 25.83 1.39 o
8 -2 3 441.22 465.14 4.78 o
8 -2 4 434.67 411.59 4.66 o
9 -4 2 804.82 750.35 9.26 o
9 -4 3 0.01 0.65 0.51 <
9 -4 4 28.52 16.69 1.54 o
9 -3 1 601.76 665.09 5.12 o
9 -3 2 1066.10 1342.87 10.95 o
9 -3 3 394.13 416.75 4.73 o
9 -3 4 54.78 53.55 2.36 o
9 -2 2 0.79 1.89 0.58 o
9 -2 3 10.05 6.86 0.98 o