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#$Date: 2012-02-03 19:16:24 +0200 (Fri, 03 Feb 2012) $
#$Revision: 32112 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/08/2100804.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_2100804
loop_
_publ_author_name
'Sasaki, S.'
'Inoue, Z.'
'Iyi, N.'
'Takekawa, S.'
_publ_section_title
;
 Electron density study of YBa~2~Cu~3~O~6+{\d~}
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              393
_journal_page_last               400
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'Ba2 Cu3 O6 Y'
_chemical_formula_weight         651.8
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8600(10)
_cell_length_c                   11.813(4)
_cell_volume                     176.05(7)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.7107
_exptl_absorpt_coefficient_mu    28.75
_exptl_crystal_density_diffrn    6.15
_exptl_crystal_F_000             287
_[local]_cod_data_source_file    oh0012.cif
_[local]_cod_data_source_block   oh0012a
_[local]_cod_chemical_formula_sum_orig 'Ba2 Cu3 O6 Y1'
_cod_database_code               2100804
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Y .5 .5 .5
Ba .5 .5 .194390(8)
Cu(1) .0 .0 .0
Cu(2) .0 .0 .36085(2)
O(1) .0 .0 .15310(10)
O(2) .0 .5 .0
O(3) .5 .0 .37921(7)