data_global
_amcsd_formula_title 'LuFeCoO4'
loop_
_publ_author_name
'Isobe M'
'Kimizuka N'
'Iida J'
'Takekawa S'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 46 
_journal_year 1990
_journal_page_first 1917
_journal_page_last 1918
_publ_section_title
;
 Structures of LuFeCoO4 and LuFe2O4
;
_database_code_amcsd 0010185
_chemical_formula_sum 'Lu (Fe Co) O4'
_cell_length_a 3.4180
_cell_length_b 3.4180
_cell_length_c 25.28
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 255.771
_exptl_crystal_density_diffrn      6.890
_symmetry_space_group_name_H-M 'R -3 m'
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_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Lu   0.00000   0.00000   0.00000   1.00000   0.01026
Fe   0.00000   0.00000   0.21485   0.50000   0.00722
Co   0.00000   0.00000   0.21485   0.50000   0.00722
O1   0.00000   0.00000   0.12840   1.00000   0.01393
O2   0.00000   0.00000   0.29230   1.00000   0.00887
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 0.00370 0.00370 0.02350 0.00185 0.00000 0.00000
Fe 0.00720 0.00720 0.00740 0.00360 0.00000 0.00000
Co 0.00720 0.00720 0.00740 0.00360 0.00000 0.00000
O1 0.01200 0.01200 0.01700 0.00600 0.00000 0.00000
O2 0.00900 0.00900 0.00800 0.00450 0.00000 0.00000