#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/82/9008251.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9008251
loop_
_publ_author_name
'Kato, K.'
'Kawada, I.'
'Kimizuka, N.'
'Katsura, T.'
_publ_section_title
;
 Die kristallstruktur von YbFe2O4
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              314
_journal_page_last               320
_journal_paper_doi               10.1524/zkri.1975.141.3-4.314
_journal_volume                  141
_journal_year                    1975
_chemical_formula_structural     YbFe2O4
_chemical_formula_sum            'Fe2 O4 Yb'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.455
_cell_length_b                   3.455
_cell_length_c                   25.054
_cell_formula_units_Z            3
_cell_volume                     259.002
_database_code_amcsd             0010777
_exptl_crystal_density_diffrn    6.707
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Yb Fe2 O4'
_cod_database_code               9008251
_amcsd_formula_title             YbFe2O4
loop_
_space_group_symop_operation_xyz
x,y,z
2/3+x,1/3+y,1/3+z
1/3+x,2/3+y,2/3+z
x,x-y,z
2/3+x,1/3+x-y,1/3+z
1/3+x,2/3+x-y,2/3+z
y,x,-z
2/3+y,1/3+x,1/3-z
1/3+y,2/3+x,2/3-z
-x+y,y,z
2/3-x+y,1/3+y,1/3+z
1/3-x+y,2/3+y,2/3+z
-x,-x+y,-z
2/3-x,1/3-x+y,1/3-z
1/3-x,2/3-x+y,2/3-z
-y,-x,z
2/3-y,1/3-x,1/3+z
1/3-y,2/3-x,2/3+z
x-y,-y,-z
2/3+x-y,1/3-y,1/3-z
1/3+x-y,2/3-y,2/3-z
y,-x+y,-z
2/3+y,1/3-x+y,1/3-z
1/3+y,2/3-x+y,2/3-z
-x+y,-x,z
2/3-x+y,1/3-x,1/3+z
1/3-x+y,2/3-x,2/3+z
-x,-y,-z
2/3-x,1/3-y,1/3-z
1/3-x,2/3-y,2/3-z
-y,x-y,z
2/3-y,1/3+x-y,1/3+z
1/3-y,2/3+x-y,2/3+z
x-y,x,-z
2/3+x-y,1/3+x,1/3-z
1/3+x-y,2/3+x,2/3-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Yb 0.00249 0.00249 0.03721 0.00125 0.00000 0.00000
Fe 0.00925 0.00925 0.00731 0.00463 0.00000 0.00000
O1 0.01406 0.01406 0.00604 0.00703 0.00000 0.00000
O2 0.02812 0.02812 0.02862 0.01406 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Yb 0.00000 0.00000 0.00000
Fe 0.00000 0.00000 0.21500
O1 0.00000 0.00000 0.29250
O2 0.00000 0.00000 0.12920
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010777
