#------------------------------------------------------------------------------
#$Date: 2015-07-13 02:47:01 +0200 (lun 13 de jul de 2015) $
#$Revision: 149007 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/74/1527430.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_1527430
loop_
_publ_author_name
'Gopal, R.'
'Rutherford, J.S.'
'Robertson, B.E.'
_publ_section_title
;
 Closest Packing in Dense Oxides: The Structure of a Polymorph of Co3 (As
 O4)2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              29
_journal_page_last               40
_journal_volume                  32
_journal_year                    1980
_chemical_formula_sum            'As2 Co3 O8'
_chemical_name_systematic        'Co3 (As O4)2'
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   6.858
_cell_length_b                   6.858
_cell_length_c                   18.872
_cell_volume                     887.591
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Gopal_JSSCBI_1980_912.cif
_cod_data_source_block           As2Co3O8
_cod_original_cell_volume        887.5909
_cod_database_code               1527430
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y+1/2,-z+1/4
-y+1/2,-x,z+3/4
-x,y+1/2,-z+1/4
y+1/2,x,z+3/4
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
x+1/2,-y+1,-z+3/4
-y+1,-x+1/2,z+5/4
-x+1/2,y+1,-z+3/4
y+1,x+1/2,z+5/4
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 0.0576 0.2072 0.0435 1 0.0
As2 As+5 0 0 0 1 0.0
O2 O-2 0.4963 0.2898 0.1925 1 0.0
Co3 Co+2 0 0 0.5 0.5 0.0
Co1 Co+2 0.2435 0.25 0.125 1 0.0
As1 As+5 -0.3435 0.25 0.125 1 0.0
Co2 Co+2 0 0 0.2277 1 0.0
O3 O-2 0.2208 0.547 0.1016 1 0.0
