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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/01/1540143.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_1540143
loop_
_publ_author_name
'Ikeda, K.'
'Umezawa, K.'
'Nakata, M.'
'Ishihara, M.'
'Kumazawa, S.'
'Shibayama, T.'
'Imagawa, A.'
'Sugamata, T.'
'Momozawa, N.'
'Katoh, H.'
'Ishida, K.'
_publ_section_title
;
 X-ray powder diffraction study on the occupancy of oxygen atoms in the Y
 Ba2 Cu3 Ox compound
;
_journal_name_full               'Japanese Journal of Applied Physics, Part 2'
_journal_page_first              202
_journal_page_last               205
_journal_volume                  27
_journal_year                    1988
_chemical_formula_sum            'Ba2 Cu3 O6.9 Y'
_chemical_name_systematic        'Y Ba2 Cu3 O6.9'
_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                   3.812
_cell_length_b                   3.877
_cell_length_c                   11.646
_cell_volume                     172.118
_citation_journal_id_ASTM        JAPLD8
_cod_data_source_file            Ikeda_JAPLD8_1988_1.cif
_cod_data_source_block           Ba2Cu3O6.9Y1
_cod_original_cell_volume        172.1177
_cod_original_formula_sum        'Ba2 Cu3 O6.9 Y1'
_cod_database_code               1540143
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
O3 O-2 0 0 0.177 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
Y1 Y+3 0.5 0.5 0.5 1 0.0
Ba1 Ba+2 0.5 0.5 0.172 1 0.0
O1 O-2 0.5 0 0 0.1 0.0
O5 O-2 0.5 0 0.374 1 0.0
Cu2 Cu+2 0 0 0.358 1 0.0
O4 O-2 0 0.5 0.374 1 0.0
O2 O-2 0 0.5 0 0.8 0.0
