#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/07/1530713.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_1530713
loop_
_publ_author_name
'Schaefer, W.'
'Jansen, G.'
'Will, G.'
'Faber, J.jr'
'Veal, B.'
_publ_section_title
;
 Structural anomalies of Y Ba2 Cu3 O6.9 at the superconducting transition
 temperature
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1439
_journal_page_last               1445
_journal_volume                  23
_journal_year                    1988
_chemical_formula_sum            'Ba2 Cu3 O7 Y'
_chemical_name_systematic        'Ba2 Y Cu3 O7'
_space_group_IT_number           47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8181
_cell_length_b                   3.8825
_cell_length_c                   11.639
_cell_volume                     172.534
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Schaefer_MRBUAC_1988_1717.cif
_cod_data_source_block           Ba2Cu3O7Y1
_cod_original_cell_volume        172.5339
_cod_original_formula_sum        'Ba2 Cu3 O7 Y1'
_cod_database_code               1530713
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
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 0.5 0 0.3782 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
O3 O-2 0 0.5 0.3768 1 0.0
Cu2 Cu+2 0 0 0.3547 1 0.0
Y1 Y+3 0.5 0.5 0.5 1 0.0
Ba1 Ba+2 0.5 0.5 0.185 1 0.0
O4 O-2 0 0 0.1606 1 0.0
O1 O-2 0 0.5 0 1 0.0
