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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/32/1533204.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_1533204
loop_
_publ_author_name
'Garlea, O.'
'Darie, C.'
'Bordet, P.'
'Bougerol, C.'
'Isnard, O.'
_publ_section_title
;
 Structure of La Cu O2.66: an oxidized delafossite compound containing
 hole-doped kagome planes of Cu(2+) cations
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1095
_journal_page_last               1104
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'Cu0.98 La O2.59'
_chemical_name_systematic        '(La O2) (Cu0.98 O0.59)'
_space_group_IT_number           163
_symmetry_space_group_name_Hall  '-P 3 2c'
_symmetry_space_group_name_H-M   'P -3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   6.68821
_cell_length_b                   6.68821
_cell_length_c                   10.3811
_cell_volume                     402.155
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Garlea_SSSCFJ_2003_938.cif
_cod_data_source_block           Cu0.98La1O2.59
_cod_original_cell_volume        402.1553
_cod_original_formula_sum        'Cu0.98 La1 O2.59'
_cod_database_code               1533204
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-y,-x,-z+1/2
x,x-y,-z+1/2
-x+y,y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
y,x,z-1/2
-x,-x+y,z-1/2
x-y,-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
Cu3 Cu+2 0.5 0.5 0.25 0.37 0.0
O4 O-2 0.3333 0.6667 0.25 0.21 0.0
Cu1 Cu+2 0.833 0.167 0.25 0.55 0.0
O2 O-2 0.6667 0.3333 0.25 0.78 0.0
La1 La+3 0 0 0 1 0.0
O1 O-2 -0.013 0.664 0.399 1 0.0
La2 La+3 0.3333 0.6667 0.4935 1 0.0
O3 O-2 0 0 0.25 0.78 0.0
Cu2 Cu+2 0.167 0.833 0.25 0.06 0.0
