#------------------------------------------------------------------------------
#$Date: 2015-10-14 12:00:47 +0200 (Wed 14 de Oct de 2015) $
#$Revision: 168282 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/93/1539385.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_1539385
loop_
_publ_author_name
'Abbattista, F.'
'Vallino, M.'
'Mazza, D.'
'Lucco Borlera, M.'
'Brisi, C.'
_publ_section_title
;
 New phases with perovskite-related structures in the most basic zone of
 the Ba O-Y2 O3-Cu O-O system
;
_journal_name_full               'Materials Chemistry and Physics'
_journal_page_first              191
_journal_page_last               199
_journal_volume                  20
_journal_year                    1988
_chemical_formula_sum            'Ba3 Cu1.5 O5.5 Y0.5'
_chemical_name_systematic        'Ba3 Y.5 Cu1.5 O5.5'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.004
_cell_length_b                   4.111
_cell_length_c                   21.585
_cell_volume                     355.299
_citation_journal_id_ASTM        MCHPDR
_cod_data_source_file            Abbattista_MCHPDR_1988_540.cif
_cod_data_source_block           Ba3Cu1.5O5.5Y0.5
_cod_original_cell_volume        355.2987
_cod_database_code               1539385
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+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
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
O4 O-2 0.5 0 0.4 0.75 0.0
O3 O-2 0.5 0 0.1 0.5 0.0
Y1 Y+3 0 0 0.106 0.25 0.0
Ba2 Ba+2 0 0 0.315 1 0.0
O1 O-2 0 0 0 1 0.0
Ba1 Ba+2 0.5 0.5 0 1 0.0
O2 O-2 0 0 0.2 1 0.0
Cu1 Cu+2 0 0 0.106 0.75 0.0
