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#$Date: 2022-09-28 16:56:03 +0300 (Wed, 28 Sep 2022) $
#$Revision: 278244 $
#$URL: file:///home/coder/svn-repositories/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 Y₂BaCuO₅
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              62
_journal_page_last               66
_journal_paper_doi               10.1107/S0108768192007936
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'Ba Cu O5 Y2'
_chemical_formula_weight         458.7
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_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
_cod_data_source_file            as0602.cif
_cod_data_source_block           as0602a
_cod_original_cell_volume        492.17(3)
_cod_original_formula_sum        'Ba1 Cu1 O5 Y2'
_cod_database_code               2100876
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,-y,z+1/2
3 x+1/2,-y+1/2,-z+1/2
4 -x,y+1/2,-z
5 -x,-y,-z
6 x+1/2,y,-z+1/2
7 -x+1/2,y+1/2,z+1/2
8 x,-y+1/2,z
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)
