The structure described by MgTl2(FeO2)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in an L-shaped geometry to one Tl(1) and two equivalent O(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing FeO4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing FeO4 tetrahedra. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 1-coordinate geometry to one Mg(1) atom. In the second Tl site, Tl(2) is bonded in a distorted single-bond geometry to one O(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one Tl(2) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a linear geometry to one Fe(1) and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTl2(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.373
_cell_length_b   6.143
_cell_length_c   6.373
_cell_angle_alpha   58.380
_cell_angle_beta   54.151
_cell_angle_gamma   58.380
_symmetry_Int_Tables_number   1
_cell_volume   163.467
_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  0.857  0.562  0.857  1.0
  Tl  Tl1  1  0.946  0.950  0.946  1.0
  Tl  Tl2  1  0.205  0.024  0.205  1.0
  Fe  Fe3  1  0.593  0.610  0.593  1.0
  Fe  Fe4  1  0.364  0.359  0.364  1.0
  O  O5  1  0.453  0.987  0.453  1.0
  O  O6  1  0.973  0.536  0.497  1.0
  O  O7  1  0.497  0.536  0.973  1.0
  O  O8  1  0.497  0.445  0.497  1.0
[/CIF]
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The structure described by MgTl2(FeO2)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in an L-shaped geometry to one Tl(1) and two equivalent O(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing FeO4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form corner-sharing FeO4 tetrahedra. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 1-coordinate geometry to one Mg(1) atom. In the second Tl site, Tl(2) is bonded in a distorted single-bond geometry to one O(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), and one Tl(2) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one Fe(1), and one Fe(2) atom. In the third O site, O(3) is bonded in a linear geometry to one Fe(1) and one Fe(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTl2(FeO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.373
_cell_length_b   6.143
_cell_length_c   6.373
_cell_angle_alpha   58.380
_cell_angle_beta   54.151
_cell_angle_gamma   58.380
_symmetry_Int_Tables_number   1
_cell_volume   163.467
_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  0.857  0.562  0.857  1.0
  Tl  Tl1  1  0.946  0.950  0.946  1.0
  Tl  Tl2  1  0.205  0.024  0.205  1.0
  Fe  Fe3  1  0.593  0.610  0.593  1.0
  Fe  Fe4  1  0.364  0.359  0.364  1.0
  O  O5  1  0.453  0.987  0.453  1.0
  O  O6  1  0.973  0.536  0.497  1.0
  O  O7  1  0.497  0.536  0.973  1.0
  O  O8  1  0.497  0.445  0.497  1.0
[/CIF]
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