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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/27/7222732.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_7222732
loop_
_publ_author_name
'Emmerling, F.'
'Idilbi, M.'
'Roehr, C.'
_publ_section_title
;
 Neue Oxopnictate A(I)3 M(V) O4: Darstellung und Kristallstruktur von A3
 As O4 (A = K, Rb, Cs) und K3 Bi O4
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              599
_journal_page_last               604
_journal_volume                  57
_journal_year                    2002
_chemical_formula_sum            'As Cs3 O4'
_chemical_name_systematic        'Cs3 (As O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.5427
_cell_length_b                   9.029
_cell_length_c                   6.585
_cell_volume                     745.738
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Emmerling_ZNBSEN_2002_576.cif
_cod_data_source_block           As1Cs3O4
_cod_original_cell_volume        745.7383
_cod_original_formula_sum        'As1 Cs3 O4'
_cod_database_code               7222732
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
O1 O-2 0.2292 0.25 0.5911 1 0.0
O3 O-2 0.1078 0.0927 0.8696 1 0.0
Cs1 Cs+1 0.14443 0.50638 0.31039 1 0.0
O2 O-2 0.0101 0.25 0.5616 1 0.0
Cs2 Cs+1 0.07768 -0.25 0.85363 1 0.0
As1 As+5 0.11388 0.25 0.7281 1 0.0
