The material described by MgMn2Tl2O6 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. Tl(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Mn(1), and two equivalent Tl(1) atoms to form a mixture of distorted edge and corner-sharing OMgMn2Tl2 trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Mn(1), and two equivalent Tl(1) atoms. In the third O site, O(3) is bonded to one Mg(1), two equivalent Mn(1), and two equivalent Tl(1) atoms to form a mixture of distorted edge and corner-sharing OMgMn2Tl2 trigonal bipyramids. is represented by the CIF file [CIF]
data_MgMn2Tl2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.561
_cell_length_b   6.195
_cell_length_c   5.580
_cell_angle_alpha   116.629
_cell_angle_beta   119.657
_cell_angle_gamma   89.857
_symmetry_Int_Tables_number   1
_cell_volume   143.260
_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  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.325  0.971  0.650  1.0
  Mn  Mn2  1  0.675  0.029  0.350  1.0
  Tl  Tl3  1  0.123  0.378  0.249  1.0
  Tl  Tl4  1  0.877  0.622  0.751  1.0
  O  O5  1  0.095  0.267  0.562  1.0
  O  O6  1  0.454  0.256  0.156  1.0
  O  O7  1  0.701  0.259  0.796  1.0
  O  O8  1  0.299  0.741  0.204  1.0
  O  O9  1  0.546  0.744  0.844  1.0
  O  O10  1  0.905  0.733  0.438  1.0
[/CIF]
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The material described by MgMn2Tl2O6 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-38°. Tl(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Mn(1), and two equivalent Tl(1) atoms to form a mixture of distorted edge and corner-sharing OMgMn2Tl2 trigonal bipyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Mg(1), two equivalent Mn(1), and two equivalent Tl(1) atoms. In the third O site, O(3) is bonded to one Mg(1), two equivalent Mn(1), and two equivalent Tl(1) atoms to form a mixture of distorted edge and corner-sharing OMgMn2Tl2 trigonal bipyramids. is represented by the CIF file [CIF]
data_MgMn2Tl2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.561
_cell_length_b   6.195
_cell_length_c   5.580
_cell_angle_alpha   116.629
_cell_angle_beta   119.657
_cell_angle_gamma   89.857
_symmetry_Int_Tables_number   1
_cell_volume   143.260
_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  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.325  0.971  0.650  1.0
  Mn  Mn2  1  0.675  0.029  0.350  1.0
  Tl  Tl3  1  0.123  0.378  0.249  1.0
  Tl  Tl4  1  0.877  0.622  0.751  1.0
  O  O5  1  0.095  0.267  0.562  1.0
  O  O6  1  0.454  0.256  0.156  1.0
  O  O7  1  0.701  0.259  0.796  1.0
  O  O8  1  0.299  0.741  0.204  1.0
  O  O9  1  0.546  0.744  0.844  1.0
  O  O10  1  0.905  0.733  0.438  1.0
[/CIF]
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