#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/22/1542252.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_1542252
loop_
_publ_author_name
'Wilhelmi, K.A.'
_publ_section_title
;
 The crystal structure of Cs Cr3 O8
;
_journal_name_full               'Arkiv foer Kemi'
_journal_page_first              141
_journal_page_last               147
_journal_volume                  26
_journal_year                    1967
_chemical_formula_sum            'Cr3 Cs O8'
_chemical_name_systematic        'Cs Cr3 O8'
_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                   15.957
_cell_length_b                   5.505
_cell_length_c                   8.264
_cell_volume                     725.937
_citation_journal_id_ASTM        ARKEAD
_cod_data_source_file            Wilhelmi_ARKEAD_1967_695.cif
_cod_data_source_block           Cr3Cs1O8
_cod_original_cell_volume        725.9369
_cod_original_formula_sum        'Cr3 Cs1 O8'
_cod_database_code               1542252
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
O2 O-2 0.1822 0.25 0.4101 1 0.0
O1 O-2 0.163 0.75 0.2381 1 0.0
O4 O-2 0.3842 0.25 0.4459 1 0.0
Cr2 Cr+5 0.3896 0.75 0.0419 1 0.0
O6 O-2 0.0242 0.0092 0.1743 1 0.0
Cr1 Cr+5 0.4524 0.25 0.2407 1 0.0
O5 O-2 0.3766 0.9887 0.157 1 0.0
O3 O-2 0.011 0.25 0.4699 1 0.0
Cs1 Cs+1 0.2137 0.25 0.0064 1 0.0
Cr3 Cr+5 0.0795 0.75 0.1373 1 0.0
