The compound described by MgTm(FeO2)2 is Corundum-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Fe(1)O4 trigonal pyramids, edges with six equivalent Mg(1)O6 octahedra, and edges with six equivalent Fe(1)O4 trigonal pyramids. Tm(1) is bonded to six equivalent O(2) atoms to form TmO6 octahedra that share corners with six equivalent Fe(1)O4 trigonal pyramids and edges with six equivalent Tm(1)O6 octahedra. Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted FeO4 trigonal pyramids that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Tm(1)O6 octahedra, corners with six equivalent Fe(1)O4 trigonal pyramids, and edges with three equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mg(1) and three equivalent Fe(1) atoms to form OMg3Fe3 octahedra that share corners with three equivalent O(1)Mg3Fe3 octahedra, corners with three equivalent O(2)Tm3Fe trigonal pyramids, and edges with nine equivalent O(1)Mg3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to three equivalent Tm(1) and one Fe(1) atom to form distorted OTm3Fe trigonal pyramids that share corners with three equivalent O(1)Mg3Fe3 octahedra, corners with nine equivalent O(2)Tm3Fe trigonal pyramids, and edges with three equivalent O(2)Tm3Fe trigonal pyramids. The corner-sharing octahedral tilt angles are 59°. is represented by the CIF card [CIF]
data_TmMg(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.283
_cell_length_b   3.283
_cell_length_c   11.014
_cell_angle_alpha   81.430
_cell_angle_beta   81.430
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   101.259
_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
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  0.237  0.237  0.290  1.0
  Fe  Fe3  1  0.763  0.763  0.710  1.0
  O  O4  1  0.132  0.132  0.605  1.0
  O  O5  1  0.868  0.868  0.395  1.0
  O  O6  1  0.298  0.298  0.105  1.0
  O  O7  1  0.702  0.702  0.895  1.0
[/CIF]
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The compound described by MgTm(FeO2)2 is Corundum-derived structured and crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Fe(1)O4 trigonal pyramids, edges with six equivalent Mg(1)O6 octahedra, and edges with six equivalent Fe(1)O4 trigonal pyramids. Tm(1) is bonded to six equivalent O(2) atoms to form TmO6 octahedra that share corners with six equivalent Fe(1)O4 trigonal pyramids and edges with six equivalent Tm(1)O6 octahedra. Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted FeO4 trigonal pyramids that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Tm(1)O6 octahedra, corners with six equivalent Fe(1)O4 trigonal pyramids, and edges with three equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-59°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mg(1) and three equivalent Fe(1) atoms to form OMg3Fe3 octahedra that share corners with three equivalent O(1)Mg3Fe3 octahedra, corners with three equivalent O(2)Tm3Fe trigonal pyramids, and edges with nine equivalent O(1)Mg3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to three equivalent Tm(1) and one Fe(1) atom to form distorted OTm3Fe trigonal pyramids that share corners with three equivalent O(1)Mg3Fe3 octahedra, corners with nine equivalent O(2)Tm3Fe trigonal pyramids, and edges with three equivalent O(2)Tm3Fe trigonal pyramids. The corner-sharing octahedral tilt angles are 59°. is represented by the CIF card [CIF]
data_TmMg(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.283
_cell_length_b   3.283
_cell_length_c   11.014
_cell_angle_alpha   81.430
_cell_angle_beta   81.430
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   101.259
_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
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  Fe  Fe2  1  0.237  0.237  0.290  1.0
  Fe  Fe3  1  0.763  0.763  0.710  1.0
  O  O4  1  0.132  0.132  0.605  1.0
  O  O5  1  0.868  0.868  0.395  1.0
  O  O6  1  0.298  0.298  0.105  1.0
  O  O7  1  0.702  0.702  0.895  1.0
[/CIF]
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