#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/12/1531260.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_1531260
loop_
_publ_author_name
'Davis, M.J.'
'Smith, M.D.'
'zur Loye, H.C.'
_publ_section_title
;
 Crystal growth, structural characterization and magnetic properties of
 Ca3 Cu Rh O6, Ca3 Co1.34 Rh0.66 O6 and Ca3 Fe Rh O6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              122
_journal_page_last               129
_journal_volume                  173
_journal_year                    2003
_chemical_formula_sum            'Ca3 Cu O6 Rh'
_chemical_name_systematic        'Ca3 Cu Rh O6'
_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                 91.672
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.004
_cell_length_b                   9.218
_cell_length_c                   6.453
_cell_volume                     535.364
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Davis_JSSCBI_2003_1569.cif
_cod_data_source_block           Ca3Cu1O6Rh1
_cod_original_cell_volume        535.3637
_cod_original_formula_sum        'Ca3 Cu1 O6 Rh1'
_cod_database_code               1531260
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
O2 O-2 0.2183 0.3162 0.2067 1 0.0
O3 O-2 0.4447 0.1522 0.4542 1 0.0
O1 O-2 0.1407 0.0715 0.4325 1 0.0
Cu1 Cu+2 0 0.3049 0.25 1 0.0
Ca2 Ca+2 0.3129 0.925 0.6218 1 0.0
Rh1 Rh+4 0.25 0.25 0.5 1 0.0
Ca1 Ca+2 0 0.896 0.25 1 0.0
