#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/38/4343862.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_4343862
loop_
_publ_author_name
'Inaguma, Y.'
'Hasumi, K.-I.'
'Ohba, T.'
'Katsumata, T.'
_publ_section_title
;
 High-pressure synthesis, structure, and characterization of a
 post-perovskite Ca Pt O3 with Ca Ir O3 - type structure
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1868
_journal_page_last               1870
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'Ca O3 Pt'
_chemical_name_systematic        'Ca Pt O3'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.1232
_cell_length_b                   9.912
_cell_length_c                   7.3459
_cell_volume                     227.408
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Inaguma_INOCAJ_2008_1407.cif
_cod_data_source_block           Ca1O3Pt1
_cod_original_cell_volume        227.4082
_cod_original_formula_sum        'Ca1 O3 Pt1'
_cod_database_code               4343862
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-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
O2 O-2 0.5 0.416 0.25 1 0.0
Ca1 Ca+2 0 0.2508 0.25 1 0.0
O1 O-2 0.5 0.1245 0.0447 1 0.0
Pt1 Pt+4 0 0 0 1 0.0
