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#$Date: 2013-12-28 13:58:47 +0000 (Sat, 28 Dec 2013) $
#$Revision: 91933 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/08/2100876.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_2100876
loop_
_publ_author_name
'Buttner, R. H.'
'Maslen, E. N.'
_publ_section_title
;
 Structural parameters and electron difference density in Y~2~BaCuO~5~
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              62
_journal_page_last               66
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Ba Cu O5 Y2'
_chemical_formula_weight         458.7
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.188(2)
_cell_length_b                   5.662(2)
_cell_length_c                   7.132(2)
_cell_volume                     492.2(2)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    36.633
_exptl_crystal_density_diffrn    6.19
_exptl_crystal_F_000             812
_[local]_cod_data_source_file    as0602.cif
_[local]_cod_data_source_block   as0602a
_[local]_cod_chemical_formula_sum_orig 'Ba1 Cu1 O5 Y2'
_cod_original_cell_volume        492.17(3)
_cod_database_code               2100876
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Y1 .07386(3) .75 .39582(6)
Y2 .28826(3) .75 .11627(6)
Ba .09518(2) .25 .06986(4)
Cu .65934(4) .75 .71265(8)
O1 .5676(2) .5069(5) .8349(3)
O2 .7720(2) .5038(5) .6439(3)
O3 .6004(3) .75 .4206(5)
_journal_paper_doi 10.1107/S0108768192007936