The material structure described by TmFe2O4 is Aluminum carbonitride-like structured and crystallizes in the trigonal R-3m space group. Tm(1) is bonded to six equivalent O(2) atoms to form distorted TmO6 octahedra that share corners with six equivalent Fe(1)O5 trigonal bipyramids and edges with six equivalent Tm(1)O6 octahedra. Fe(1) is bonded to one O(2) and four equivalent O(1) atoms to form FeO5 trigonal bipyramids that share corners with three equivalent Tm(1)O6 octahedra, corners with six equivalent Fe(1)O5 trigonal bipyramids, and edges with three equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Fe(1) atoms to form OFe4 trigonal pyramids that share corners with four equivalent O(2)Tm3Fe tetrahedra, corners with six equivalent O(1)Fe4 trigonal pyramids, and edges with three equivalent O(1)Fe4 trigonal pyramids. In the second O site, O(2) is bonded to three equivalent Tm(1) and one Fe(1) atom to form OTm3Fe tetrahedra that share corners with nine equivalent O(2)Tm3Fe tetrahedra, corners with four equivalent O(1)Fe4 trigonal pyramids, and edges with three equivalent O(2)Tm3Fe tetrahedra. is represented by the CIF card [CIF]
data_Tm(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.702
_cell_length_b   8.702
_cell_length_c   8.702
_cell_angle_alpha   23.020
_cell_angle_beta   23.020
_cell_angle_gamma   23.020
_symmetry_Int_Tables_number   1
_cell_volume   88.428
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Tm  Tm0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.786  0.786  0.786  1.0
  Fe  Fe2  1  0.214  0.214  0.214  1.0
  O  O3  1  0.872  0.872  0.872  1.0
  O  O4  1  0.128  0.128  0.128  1.0
  O  O5  1  0.708  0.708  0.708  1.0
  O  O6  1  0.292  0.292  0.292  1.0
[/CIF]
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The material structure described by TmFe2O4 is Aluminum carbonitride-like structured and crystallizes in the trigonal R-3m space group. Tm(1) is bonded to six equivalent O(2) atoms to form distorted TmO6 octahedra that share corners with six equivalent Fe(1)O5 trigonal bipyramids and edges with six equivalent Tm(1)O6 octahedra. Fe(1) is bonded to one O(2) and four equivalent O(1) atoms to form FeO5 trigonal bipyramids that share corners with three equivalent Tm(1)O6 octahedra, corners with six equivalent Fe(1)O5 trigonal bipyramids, and edges with three equivalent Fe(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Fe(1) atoms to form OFe4 trigonal pyramids that share corners with four equivalent O(2)Tm3Fe tetrahedra, corners with six equivalent O(1)Fe4 trigonal pyramids, and edges with three equivalent O(1)Fe4 trigonal pyramids. In the second O site, O(2) is bonded to three equivalent Tm(1) and one Fe(1) atom to form OTm3Fe tetrahedra that share corners with nine equivalent O(2)Tm3Fe tetrahedra, corners with four equivalent O(1)Fe4 trigonal pyramids, and edges with three equivalent O(2)Tm3Fe tetrahedra. is represented by the CIF card [CIF]
data_Tm(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.702
_cell_length_b   8.702
_cell_length_c   8.702
_cell_angle_alpha   23.020
_cell_angle_beta   23.020
_cell_angle_gamma   23.020
_symmetry_Int_Tables_number   1
_cell_volume   88.428
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Tm  Tm0  1  0.000  0.000  0.000  1.0
  Fe  Fe1  1  0.786  0.786  0.786  1.0
  Fe  Fe2  1  0.214  0.214  0.214  1.0
  O  O3  1  0.872  0.872  0.872  1.0
  O  O4  1  0.128  0.128  0.128  1.0
  O  O5  1  0.708  0.708  0.708  1.0
  O  O6  1  0.292  0.292  0.292  1.0
[/CIF]
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