#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/77/1527740.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_1527740
loop_
_publ_author_name
'Longo, J.M.'
'Kafalas, J.A.'
'Arnott, R.J.'
_publ_section_title
;
 Structure and properties of the high and low pressure forms of Sr Ir O3
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              174
_journal_page_last               179
_journal_volume                  3
_journal_year                    1971
_chemical_formula_sum            'Ir O3 Sr'
_chemical_name_systematic        'Sr Ir O3'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.26
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   5.604
_cell_length_b                   9.618
_cell_length_c                   14.174
_cell_volume                     762.732
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Longo_JSSCBI_1971_1974.cif
_cod_data_source_block           Ir1O3Sr1
_cod_original_formula_sum        'Ir1 O3 Sr1'
_cod_database_code               1527740
loop_
_symmetry_equiv_pos_as_xyz
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
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
Sr1 Sr+2 0 0.016 0.25 1 0.0
Ir1 Ir+4 0 0 0 1 0.0
O3 O-2 0.77 0.427 0.083 1 0.0
O1 O-2 0 0.492 0.25 1 0.0
Sr2 Sr+2 0 0.682 0.103 1 0.0
Ir2 Ir+4 0.975 0.658 0.846 1 0.0
O5 O-2 0.26 0.415 0.08 1 0.0
O4 O-2 0.997 0.17 0.483 1 0.0
O2 O-2 0.224 0.265 0.269 1 0.0
