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#$Date: 2022-09-28 14:56:03 +0100 (Wed, 28 Sep 2022) $
#$Revision: 278244 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/13/2101386.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_2101386
loop_
_publ_author_name
'du Boulay, D.'
'Maslen, E. N.'
'Streltsov, V. A.'
'Ishizawa, N.'
_publ_section_title
;
 A synchrotron X-ray study of the electron density in YFeO~3~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              921
_journal_page_last               929
_journal_paper_doi               10.1107/S0108768195004010
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Fe O3 Y'
_chemical_formula_weight         192.76
_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                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   5.5877(3)
_cell_length_b                   7.5951(4)
_cell_length_c                   5.2743(2)
_cell_volume                     223.837(19)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    29.82
_exptl_crystal_density_diffrn    5.719
_exptl_crystal_F_000             356
_cod_data_source_file            as0680.cif
_cod_data_source_block           as0680a
_cod_original_cell_volume        223.84(2)
_cod_original_formula_sum        'Fe1 O3 Y1'
_cod_database_code               2101386
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
Fe .0 .0 .5
Y .06854(4) .25 -.01791
O1 .4603(3) .25 .1104(3)
O2 -.3046(2) -.0567(2) .3078(2)