#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/51/1525128.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_1525128
loop_
_publ_author_name
'Rama Rao, M.V.'
'Sornadurai, D.'
'Sathe, V.G.'
'Panigrahi, B.'
'Shripathi, T.'
_publ_section_title
;
 Electronic structure of A Ru O3 (A = Ca, Sr and Ba) compounds
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              797
_journal_page_last               806
_journal_volume                  62
_journal_year                    2001
_chemical_formula_sum            'O3 Ru0.5 Sr'
_chemical_name_systematic        'Sr (Ru O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.574
_cell_length_b                   5.541
_cell_length_c                   7.854
_cell_volume                     242.575
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            RamaRao_JPCSAW_2001_28.cif
_cod_data_source_block           O3Ru0.5Sr1
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'O3 Ru0.5 Sr1'
_cod_database_code               1525128
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-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 0.01681 0.25 1 0.0
O1 O-2 0 0.52263 0.25 1 0.0
Ru1 Ru+4 0.00267 0.5 0 0.5 0.0
O2 O-2 0.05816 0.26179 0.01655 1 0.0
