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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/99/1529921.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_1529921
loop_
_publ_author_name
'Famery, R.'
'Queyroux, F.'
_publ_section_title
;
 Crystal Structure Refinement of Y2 Cu2 O5 from Single Crystal X-Ray
 Diffraction Data
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              275
_journal_page_last               281
_journal_volume                  24
_journal_year                    1989
_chemical_formula_sum            'Cu2 O5 Y2'
_chemical_name_systematic        'Y2 Cu2 O5'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2ac -2n'
_symmetry_space_group_name_H-M   'P n 21 a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.832
_cell_length_b                   12.491
_cell_length_c                   3.495
_cell_volume                     472.882
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Famery_MRBUAC_1989_1780.cif
_cod_data_source_block           Cu2O5Y2
_cod_original_cell_volume        472.8823
_cod_original_sg_symbol_Hall     'P 2c -2n (-x,z,y)'
_cod_database_code               1529921
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x+1/2,y+1/2,z+1/2
x+1/2,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
O3 O-2 0.1237 0.162 0.3305 1 0.0
Y1 Y+3 0.2062 0 0.226 1 0.0
Cu1 Cu+2 0.4891 0.1132 0.8364 1 0.0
O1 O-2 0.1739 0.3511 0.7311 1 0.0
O4 O-2 0.4272 0.2634 0.7779 1 0.0
Y2 Y+3 0.041 0.3297 0.2251 1 0.0
O5 O-2 0.4263 0.4726 0.2271 1 0.0
O2 O-2 0.3241 0.0673 0.7221 1 0.0
Cu2 Cu+2 0.2611 0.2157 0.6605 1 0.0
