#------------------------------------------------------------------------------
#$Date: 2015-10-09 14:29:39 +0200 (vie 09 de oct de 2015) $
#$Revision: 161977 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/49/1534906.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_1534906
loop_
_publ_author_name
'Simon, A.'
'Truebenbach, K.'
'Borrmann, H.'
_publ_section_title
;
 Single crystal X-ray structure analysis of yttrium barium copper oxide
 (YBa2Cu3O6.5)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              128
_journal_page_last               133
_journal_volume                  106
_journal_year                    1993
_chemical_formula_sum            'Ba4 Cu6 O13 Y2'
_chemical_name_systematic        'Y2 Ba4 Cu6 O13'
_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                   7.655
_cell_length_b                   3.873
_cell_length_c                   11.735
_cell_volume                     347.917
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Simon_JSSCBI_1993_731.cif
_cod_data_source_block           Ba4Cu6O13Y2
_cod_original_cell_volume        347.9171
_cod_database_code               1534906
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
Cu3 Cu+2 0 0 0.35941 1 0.0
Ba1 Ba+2 0.24136 0.5 0.18874 1 0.0
O2 O-2 0.5 0 0.1514 1 0.0
O4 O-2 0 0.5 0.3854 1 0.0
Cu2 Cu+2 0.5 0 0 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
O3 O-2 0.2497 0 0.3895 1 0.0
O1 O-2 0 0 0.166 1 0.0
O6 O-2 0 0.5 0 1 0.0
Cu4 Cu+2 0.5 0 0.35179 1 0.0
Y1 Y+3 0.25352 0.5 0.5 1 0.0
O5 O-2 0.5 0.5 0.3825 1 0.0
