The structure described by MgTl2(FeO2)2 crystallizes in the trigonal R-3m space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent Tl(1) atoms. Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted corner-sharing FeO4 tetrahedra. Tl(1) is bonded in a 4-coordinate geometry to one Mg(1) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Fe(1) and two equivalent Tl(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_MgTl2(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.533
_cell_length_b   6.533
_cell_length_c   6.533
_cell_angle_alpha   52.441
_cell_angle_beta   52.441
_cell_angle_gamma   52.441
_symmetry_Int_Tables_number   1
_cell_volume   162.173
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.802  0.802  0.802  1.0
  Tl  Tl2  1  0.198  0.198  0.198  1.0
  Fe  Fe3  1  0.389  0.389  0.389  1.0
  Fe  Fe4  1  0.611  0.611  0.611  1.0
  O  O5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by MgTl2(FeO2)2 crystallizes in the trigonal R-3m space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent Tl(1) atoms. Fe(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted corner-sharing FeO4 tetrahedra. Tl(1) is bonded in a 4-coordinate geometry to one Mg(1) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Fe(1) and two equivalent Tl(1) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_MgTl2(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.533
_cell_length_b   6.533
_cell_length_c   6.533
_cell_angle_alpha   52.441
_cell_angle_beta   52.441
_cell_angle_gamma   52.441
_symmetry_Int_Tables_number   1
_cell_volume   162.173
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.802  0.802  0.802  1.0
  Tl  Tl2  1  0.198  0.198  0.198  1.0
  Fe  Fe3  1  0.389  0.389  0.389  1.0
  Fe  Fe4  1  0.611  0.611  0.611  1.0
  O  O5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.000  0.500  0.500  1.0
  O  O7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.500  0.500  0.000  1.0
[/CIF]
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