#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/85/1528509.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_1528509
loop_
_publ_author_name
'Garlea, V.O.'
'Bordet, P.'
'Darie, C.'
'Isnard, O.'
_publ_section_title
;
 Synthesis and neutron diffraction structural analysis of oxidized
 delafossite Y Cu O2.5
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              457
_journal_page_last               461
_journal_volume                  8
_journal_year                    2006
_chemical_formula_sum            'Cu O2.5 Y'
_chemical_name_systematic        'Y Cu O2.5'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.1869
_cell_length_b                   11.2066
_cell_length_c                   7.1484
_cell_volume                     495.628
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Garlea_SSSCFJ_2006_800.cif
_cod_data_source_block           Cu1O2.5Y1
_cod_original_formula_sum        'Cu1 O2.5 Y1'
_cod_database_code               1528509
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
Y1 Y+3 0.7536 0.023 0.1185 1 0.0
Cu1 Cu+2 0.0761 0.25 0.149 1 0.0
O2 O-2 0.1036 0.0878 0.1088 1 0.0
Cu2 Cu+2 0.5936 0.25 0.8798 1 0.0
O1 O-2 0.7461 0.25 0.1146 1 0.0
O3 O-2 0.5681 0.0876 0.856 1 0.0
