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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/75/1527549.cif $
#------------------------------------------------------------------------------
#
# 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_1527549
loop_
_publ_author_name
'Hulliger, F.'
'Schmelczer, R.'
'Schwarzenbach, D.'
_publ_section_title
;
 The GdPS structure, a new PbFCl-type derivative
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              371
_journal_page_last               374
_journal_volume                  21
_journal_year                    1977
_chemical_formula_sum            'Gd P S'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2bc 2a'
_symmetry_space_group_name_H-M   'P m n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.362
_cell_length_b                   5.4079
_cell_length_c                   16.742
_cell_volume                     485.470
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Hulliger_JSSCBI_1977_810.cif
_cod_data_source_block           Gd1P1S1
_cod_original_cell_volume        485.4705
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,-x,z)'
_cod_original_formula_sum        'Gd1 P1 S1'
_cod_database_code               1527549
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y+1/2,z+1/2
-x+1/2,y+1/2,-z+1/2
x+1/2,-y,-z
-x,-y,-z
x,y-1/2,-z-1/2
x-1/2,-y-1/2,z-1/2
-x-1/2,y,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Gd2 Gd 0.25 -0.0152 0.6469 1 0.0
P1 P 0.0382 0.7046 -0.0025 1 0.0
Gd1 Gd 0.25 0.016 0.1376 1 0.0
S1 S 0.25 0.515 0.1888 1 0.0
S2 S 0.25 0.4883 0.6833 1 0.0
