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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/78/9007824.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_9007824
loop_
_publ_author_name
'Isobe, M.'
'Kimizuka, N.'
'Iida, J.'
'Takekawa, S.'
_publ_section_title
;
 Structures of LuFeCoO4 and LuFe2O4
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1917
_journal_page_last               1918
_journal_paper_doi               10.1107/S0108270190004784
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     LuFe2O4
_chemical_formula_sum            'Fe2 Lu O4'
_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                   3.4406
_cell_length_b                   3.4406
_cell_length_c                   25.28
_cell_formula_units_Z            3
_cell_volume                     259.165
_database_code_amcsd             0010186
_exptl_crystal_density_diffrn    6.740
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Lu Fe2 O4'
_cod_database_code               9007824
_amcsd_formula_title             LuFe2O4
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
Lu 0.00410 0.00410 0.04320 0.00205 0.00000 0.00000
Fe 0.01000 0.01000 0.00900 0.00500 0.00000 0.00000
O1 0.01900 0.01900 0.04700 0.00950 0.00000 0.00000
O2 0.01300 0.01300 0.00900 0.00650 0.00000 0.00000
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Lu 0.00000 0.00000 0.00000 0.01710
Fe 0.00000 0.00000 0.21518 0.00963
O1 0.00000 0.00000 0.12810 0.02913
O2 0.00000 0.00000 0.29260 0.01140
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010186
