#------------------------------------------------------------------------------
#$Date: 2016-02-14 05:40:26 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/50/97/1509729.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_1509729
loop_
_publ_author_name
'Joergens, S.'
'Mewis, A.'
_publ_section_title
;
 Die Kristallstrukturen von Hexachalcogeno-Hypodiphosphaten des Magnesiums
 und Zinks
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              51
_journal_page_last               57
_journal_paper_doi               10.1002/zaac.200300244
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'Ag2.02 Mg0.5 P2 S6'
_chemical_name_systematic        'Ag2 Mg (P2 S6)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yac'
_symmetry_space_group_name_H-M   'C 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.29
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.364
_cell_length_b                   10.975
_cell_length_c                   13.999
_cell_volume                     928.363
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            silver2-3_206.cif
_cod_data_source_block           Ag2.02Mg0.5P2S6
_cod_original_cell_volume        928.3626
_cod_original_sg_symbol_Hall     '-C 2yc (x+1/4,y-1/4,z)'
_cod_database_code               1509729
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y,-z+1/2
-x+1/2,-y+1/2,-z
x,-y+1/2,z-1/2
x+1/2,y+1/2,z
-x+1,y+1/2,-z+1/2
-x+1,-y+1,-z
x+1/2,-y+1,z-1/2
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
S2 S-2 0.473 0.6089 0.1195 1 0.0
Mg1 Mg+2 0.25 0.577 0.25 0.5 0.0
S1 S-2 0.5562 0.5879 0.6202 1 0.0
S3 S-2 0.5287 0.7193 0.3762 1 0.0
Ag1 Ag+1 0.671 0.4121 0.125 0.8 0.0
Ag2 Ag+1 0.652 0.409 0.098 0.21 0.0
P1 P+4 0.6968 0.7544 0.666 1 0.0
