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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/95/1509506.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_1509506
loop_
_publ_author_name
'Brec, R.'
'Ouvrard, G.'
_publ_section_title
;
 Modification of the cationic ordering with respect to the chalcogen in
 the layered M M' P2 X6 phases. Synthesis and structure of two-dimensional
 Ag V P2 Se6
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1199
_journal_page_last               1209
_journal_paper_doi               10.1016/0025-5408(88)90212-7
_journal_volume                  23
_journal_year                    1988
_chemical_formula_sum            'Ag P2 Se6 V'
_chemical_name_systematic        'Ag V (P Se3)2'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.82
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.3399
_cell_length_b                   11.02
_cell_length_c                   6.9819
_cell_volume                     466.927
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            silver1-2_490.cif
_cod_data_source_block           Ag1P2Se6V1
_cod_original_cell_volume        466.9268
_cod_original_formula_sum        'Ag1 P2 Se6 V1'
_cod_database_code               1509506
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-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
V1 V 0 0.327 0 1 0.0
Se1 Se 0.7169 0.6703 0.2598 1 0.0
Ag1 Ag 0 0.668 0 1 0.0
Se3 Se 0.2469 0.4762 0.2516 1 0.0
P1 P 0.0511 0 0.1646 1 0.0
Se2 Se 0.7248 0.8393 0.7453 1 0.0
