#------------------------------------------------------------------------------
#$Date: 2020-01-01 10:04:04 +0200 (Wed, 01 Jan 2020) $
#$Revision: 246419 $
#$URL: file:///home/coder/svn-repositories/cod/hkl/2/30/06/2300663.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_2300663
_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             93.036
_reflns_d_resolution_high        1.0903
_cod_data_source_file            pd5113neutronsup2.hkl
_cod_data_source_block           neutron
_shelx_title                     '   '
_shelx_refln_list_code           4
_shelx_f_calc_maximum            68.80
_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 2 326.09 307.31 26.93 o
0 0 4 5563.90 4732.87 75.74 o
1 0 0 118.96 0.00 16.11 <
1 0 2 586.72 625.91 17.73 o
1 0 4 87.58 130.75 46.50 <
2 -1 1 1.45 16.11 33.38 <
2 -1 2 2687.88 3036.31 52.25 o
2 -1 3 1.08 43.74 40.98 <
2 0 2 409.23 224.44 72.74 o
2 0 4 143.68 225.59 149.17 <
3 -1 1 968.35 932.30 29.70 o
3 -1 2 18.52 32.23 34.76 <
3 -1 3 759.84 1016.32 103.59 o
4 -2 1 287.43 234.80 36.60 o
4 -2 2 1852.89 2057.97 51.10 o
4 -2 3 225.74 126.61 44.66 <
4 -1 1 145.44 292.35 48.34 o
4 -1 2 166.55 173.80 30.16 o
5 -2 1 209.69 250.92 47.19 o
5 -2 2 362.23 444.28 76.66 o
6 -3 0 297.67 336.09 71.36 o
6 -3 1 885.02 616.93 90.93 o