#------------------------------------------------------------------------------
#$Date: 2015-10-10 01:28:15 +0200 (Sat, 10 Oct 2015) $
#$Revision: 163822 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/61/1536194.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_1536194
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_volume                  630
_journal_year                    2004
_chemical_formula_sum            'Mg2 P2 S6'
_chemical_name_systematic        'Mg2 (P2 S6)'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.97
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.085
_cell_length_b                   10.56
_cell_length_c                   6.835
_cell_volume                     420.077
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Joergens_ZAACAB_2004_1050.cif
_cod_data_source_block           Mg2P2S6
_cod_original_cell_volume        420.0769
_cod_database_code               1536194
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
P2 P+4 0.058 0.3364 0.172 0.051 0.0
Mg1 Mg+2 0 0.33304 0 0.932 0.0
Mg2 Mg+2 0 0 0 0.1 0.0
S1 S-2 0.75777 0 0.24819 1 0.0
S2 S-2 0.2444 0.16191 0.24967 1 0.0
P1 P+4 0.0555 0 0.1676 0.925 0.0
