#------------------------------------------------------------------------------
#$Date: 2015-09-17 22:14:34 +0200 (jue 17 de sep de 2015) $
#$Revision: 156885 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/25/4002501.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_4002501
loop_
_publ_author_name
'Hernando, M.'
'Boulahya, K.'
'Martinez, J.L.'
'Parras, M.'
'Varela, A.'
'Gonzalez-Calbet, J.M.'
_publ_section_title
;
 Structural and magnetic study of Sr3.3 Ca0.7 Co Rh2 O9: a new partially
 ordered antiferromagnetic system
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              4948
_journal_page_last               4954
_journal_volume                  14
_journal_year                    2002
_chemical_formula_sum            'Ca0.7 Co1.35 O9 Rh1.65 Sr3.3'
_chemical_name_systematic        '(Sr0.825 Ca0.175)4 Co1.35 Rh1.65 O9'
_space_group_IT_number           150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.5767
_cell_length_b                   9.5767
_cell_length_c                   7.972
_cell_volume                     633.184
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Hernando_CMATEX_2002_1130.cif
_cod_data_source_block           Ca0.7Co1.35O9Rh1.65Sr3.3
_cod_original_cell_volume        633.1837
_cod_database_code               4002501
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-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
O4 O-2 0.666 0.169 0.081 1 0.0
Co1 Co+2 0 0 0.165 0.31 0.0
Rh2 Rh+4 0.3333 0.6667 0.065 0.67 0.0
O5 O-2 0.028 0.19 0.3 1 0.0
O1 O-2 0.502 0.664 0.227 1 0.0
Rh5 Rh+4 0.3333 0.6667 0.707 0.24 0.0
Ca1 Ca+2 0.019 0.687 0.261 0.175 0.0
Rh4 Rh+4 0 0 0.5 0.36 0.0
Rh1 Rh+4 0 0 0.165 0.69 0.0
Ca2 Ca+2 0.369 0 0.5 0.175 0.0
Sr3 Sr+2 0.312 0 0 0.825 0.0
Co5 Co+2 0.3333 0.6667 0.707 0.76 0.0
Co2 Co+2 0.3333 0.6667 0.065 0.33 0.0
Sr1 Sr+2 0.019 0.687 0.261 0.825 0.0
O3 O-2 0.83 0 0 1 0.0
Co4 Co+2 0 0 0.5 0.64 0.0
Ca3 Ca+2 0.312 0 0 0.175 0.0
Sr2 Sr+2 0.369 0 0.5 0.825 0.0
Rh3 Rh+4 0.3333 0.6667 0.385 0.7 0.0
O2 O-2 0.719 0.208 0.443 1 0.0
Co3 Co+2 0.3333 0.6667 0.385 0.3 0.0
