#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/80/1538012.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_1538012
loop_
_publ_author_name
'Fjellvag, H.'
'Karen, P.'
'Kjekshus, A.'
_publ_section_title
;
 Structural properties and phase transitions of Y2 Ba Cu O5 and Y Ba2 Cu3
 O9-d
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              283
_journal_page_last               293
_journal_volume                  41
_journal_year                    1987
_chemical_formula_sum            'Ba Cu O5 Y2'
_chemical_name_systematic        'Y2 Ba Cu O5'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.1335
_cell_length_b                   12.1763
_cell_length_c                   5.659
_cell_volume                     491.539
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Fjellvag_ACAPCT_1987_1844.cif
_cod_data_source_block           Ba1Cu1O5Y2
_cod_original_cell_volume        491.5387
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Ba1 Cu1 O5 Y2'
_cod_database_code               1538012
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,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
O2 O-2 0.3514 0.2301 0.5057 1 0.0
O3 O-2 0.9768 0.0983 0.25 1 0.0
O1 O-2 0.168 0.4324 -0.0064 1 0.0
Y2 Y+3 0.1264 0.2881 0.25 1 0.0
Y1 Y+3 0.3951 0.074 0.25 1 0.0
Ba1 Ba+2 0.9266 0.9089 0.25 1 0.0
Cu1 Cu+2 0.7147 0.6602 0.25 1 0.0
