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#$Date: 2016-02-20 01:53:41 +0100 (Sat 20 de Feb de 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/53/2105373.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2105373
loop_
_publ_author_name
'Rodier, N.'
'Toffoli, P.'
'Khodadad, P.'
_publ_section_title
;
 Structure cristalline de l'hexaselenohypodiphosphate d'argent, Ag4 P2 Se6
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1779
_journal_page_last               1781
_journal_paper_doi               10.1107/S056774087800669X
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'Ag4 P2 Se6'
_chemical_name_systematic        'Ag4 (P2 Se6)'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.169
_cell_length_b                   11.598
_cell_length_c                   6.585
_cell_volume                     1082.127
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            silver3-x_174.cif
_cod_data_source_block           Ag4P2Se6
_cod_database_code               2105373
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
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
Se2 Se-2 0.2393 0.1092 0.1513 1 0.0
Ag2 Ag+1 0.368 0.3786 0.8339 1 0.0
P2 P+4 0.4525 0.2266 0.374 1 0.0
Se1 Se-2 0.2286 0.262 0.6294 1 0.0
Se3 Se-2 0.2812 0.4236 0.1782 1 0.0
Ag3 Ag+1 0.132 0.0529 0.734 1 0.0
Ag4 Ag+1 0.612 0.0433 0.0532 1 0.0
P1 P+4 0.2931 0.2538 0.332 1 0.0
Se6 Se-2 0.4699 0.0605 0.5269 1 0.0
Se5 Se-2 0.5142 0.2348 0.0697 1 0.0
Se4 Se-2 0.5055 0.371 0.5629 1 0.0
Ag1 Ag+1 0.3628 0.1174 0.8436 1 0.0
