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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/1/50/93/1509399.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_1509399
loop_
_publ_author_name
'Kniep, R.'
'Pfeiff, R.'
_publ_section_title
;
 Quaternary selenodiphosphates(IV):M(I)M(III)(P2Se6),
 (M(I)=Cu,Ag;M(III)=Cr,Al,Ga,In)
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              111
_journal_page_last               133
_journal_paper_doi               10.1016/0925-8388(92)90626-K
_journal_volume                  186
_journal_year                    1992
_chemical_formula_sum            'Ag In P2 Se6'
_chemical_name_systematic        'Ag In (P2 Se6)'
_space_group_IT_number           163
_symmetry_space_group_name_Hall  '-P 3 2c'
_symmetry_space_group_name_H-M   'P -3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   6.483
_cell_length_b                   6.483
_cell_length_c                   13.33
_cell_volume                     485.191
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            silver1-2_339.cif
_cod_data_source_block           Ag1In1P2Se6
_cod_original_cell_volume        485.1911
_cod_original_formula_sum        'Ag1 In1 P2 Se6'
_cod_database_code               1509399
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,-z+1/2
x,x-y,-z+1/2
-x+y,y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
y,x,z-1/2
-x,-x+y,z-1/2
x-y,-y,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
Se1 Se-2 0.3291 0.3474 0.1178 1 0.0
Ag1 Ag+1 0.6667 0.3333 0.25 1 0.0
In1 In+3 0 0 0.25 1 0.0
P1 P+4 0.3333 0.6667 0.1618 1 0.0
