#------------------------------------------------------------------------------
#$Date: 2016-02-14 05:40:26 +0100 (dom 14 de feb de 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/34/8103402.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_8103402
loop_
_publ_author_name
'Brec, R.'
'van der Lee, A.'
'Evain, M.'
'Boucher, F.'
_publ_section_title
;
 Temperature dependence of the silver distribution in Ag2MnP2S6 by single
 crystal X-ray diffraction
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              247
_journal_page_last               264
_journal_volume                  203
_journal_year                    1993
_chemical_formula_sum            'Ag2 Mn P2 S6'
_chemical_name_systematic        'Ag2 Mn (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                 108.23
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.343
_cell_length_b                   10.938
_cell_length_c                   13.946
_cell_volume                     919.006
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            silver2-3_127.cif
_cod_data_source_block           Ag2Mn1P2S6
_cod_original_cell_volume        919.0059
_cod_original_sg_symbol_Hall     '-C 2yc (x+1/4,y-1/4,z)'
_cod_original_formula_sum        'Ag2 Mn1 P2 S6'
_cod_database_code               8103402
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
Mn1 Mn+2 0.25 0.577 0.25 1 0.0
P1 P+4 0.6968 0.7532 0.666 1 0.0
S3 S-2 0.5382 0.7189 0.3753 1 0.0
S2 S-2 0.4744 0.6081 0.1205 1 0.0
Ag2 Ag+1 0.635 0.413 0.072 0.04 0.0
Ag1 Ag+1 0.6697 0.4113 0.121 0.95 0.0
S1 S-2 0.5565 0.5882 0.6202 1 0.0
