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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/72/2107236.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107236
loop_
_publ_author_name
'Buttner, R.H.'
'Maslen, E.N.'
'Spadaccini, N.'
_publ_section_title
;
 A position-space model for superconductivity in YBa2Cu3O7-x
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              21
_journal_page_last               30
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Ba2 Cu3 O6.54 Y'
_chemical_name_systematic        'Y Ba2 Cu3 O6.54'
_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                   3.847
_cell_length_b                   3.875
_cell_length_c                   11.7
_cell_volume                     174.413
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Buttner_ASBSDK_1992_1513.cif
_cod_data_source_block           Ba2Cu3O6.54Y1
_cod_original_cell_volume        174.4134
_cod_original_formula_sum        'Ba2 Cu3 O6.54 Y1'
_cod_database_code               2107236
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
Ba1 Ba+2 0.5 0.5 0.18598 1 0.0
O3 O-2 0 0.5 0.3785 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
O1 O-2 0 0 0.1576 1 0.0
O4 O-2 0 0.5 0 0.54 0.0
Cu2 Cu+2 0 0 0.35642 1 0.0
Y1 Y+3 0.5 0.5 0.5 1 0.0
O2 O-2 0.5 0 0.3789 1 0.0
