#------------------------------------------------------------------------------
#$Date: 2015-09-17 23:44:16 +0200 (jue 17 de sep de 2015) $
#$Revision: 157209 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/25/4002517.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_4002517
loop_
_publ_author_name
'Lambert, S.'
'Grebille, D.'
_publ_section_title
;
 A 4D composite description for Ca0.82 (Cu0.65 Co0.35 O2)
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              4904
_journal_page_last               4909
_journal_volume                  14
_journal_year                    2002
_chemical_formula_sum            Ca0.82
_chemical_name_systematic        'Ca0.82 (Cu0.65 Co0.35 O2)'
_space_group_IT_number           69
_symmetry_space_group_name_Hall  '-F 2 2'
_symmetry_space_group_name_H-M   'F m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.391
_cell_length_b                   6.29
_cell_length_c                   10.573
_cell_volume                     225.516
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Lambert_CMATEX_2002_1128.cif
_cod_data_source_block           Ca0.82
_cod_original_cell_volume        225.5156
_cod_database_code               4002517
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
x,-y+1/2,-z+1/2
-x,y+1/2,-z+1/2
-x,-y+1/2,-z+1/2
x,y+1/2,-z+1/2
-x,y+1/2,z+1/2
x,-y+1/2,z+1/2
x+1/2,y,z+1/2
-x+1/2,-y,z+1/2
x+1/2,-y,-z+1/2
-x+1/2,y,-z+1/2
-x+1/2,-y,-z+1/2
x+1/2,y,-z+1/2
-x+1/2,y,z+1/2
x+1/2,-y,z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z
-x+1/2,y+1/2,z
x+1/2,-y+1/2,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
Ca1 Ca+2 0 0.25 0.25 0.41 0.0
