#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/09/9010961.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9010961
loop_
_publ_author_name
'Ohgushi, K.'
'Matsushita, Y.'
'Miyajima, N.'
'Katsuya, Y.'
'Tanaka, M.'
'Izumi, F.'
'Gotou, H.'
'Ueda, Y.'
'Yagi, T.'
_publ_section_title
;
 CaPtO3 as a novel post-perovskite oxide
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              189
_journal_page_last               195
_journal_paper_doi               10.1007/s00269-007-0211-5
_journal_volume                  35
_journal_year                    2008
_chemical_formula_structural     CaPtO3
_chemical_formula_sum            'Ca O3 Pt'
_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_length_a                   3.12607
_cell_length_b                   9.91983
_cell_length_c                   7.35059
_cell_formula_units_Z            4
_cell_volume                     227.942
_database_code_amcsd             0009131
_exptl_crystal_density_diffrn    8.251
_cod_original_formula_sum        'Ca Pt O3'
_cod_database_code               9010961
_amcsd_formula_title             CaPtO3
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,y,1/2-z
1/2+x,1/2+y,1/2-z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ca 0.00000 0.25000 0.25000
Pt 0.00000 0.00000 0.00000
O1 0.50000 0.42530 0.25000
O2 0.50000 0.12300 0.04510
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0009131
