The structure described by MgWTl6O12 crystallizes in the trigonal R-3 space group. Mg(1) is bonded in an octahedral geometry to six equivalent O(2) atoms. W(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. Tl(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one W(1) and three equivalent Tl(1) atoms. In the second O site, O(2) is bonded to one Mg(1) and three equivalent Tl(1) atoms to form a mixture of distorted edge and corner-sharing OMgTl3 tetrahedra. is represented by the CIF card [CIF]
data_MgTl6WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.721
_cell_length_b   6.721
_cell_length_c   6.721
_cell_angle_alpha   90.586
_cell_angle_beta   90.586
_cell_angle_gamma   90.586
_symmetry_Int_Tables_number   1
_cell_volume   303.600
_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  0.500  1.0
  Tl  Tl1  1  0.459  0.933  0.740  1.0
  Tl  Tl2  1  0.260  0.541  0.067  1.0
  Tl  Tl3  1  0.067  0.260  0.541  1.0
  Tl  Tl4  1  0.933  0.740  0.459  1.0
  Tl  Tl5  1  0.740  0.459  0.933  1.0
  Tl  Tl6  1  0.541  0.067  0.260  1.0
  W  W7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.048  0.948  0.716  1.0
  O  O9  1  0.284  0.952  0.052  1.0
  O  O10  1  0.198  0.554  0.395  1.0
  O  O11  1  0.605  0.802  0.446  1.0
  O  O12  1  0.052  0.284  0.952  1.0
  O  O13  1  0.446  0.605  0.802  1.0
  O  O14  1  0.554  0.395  0.198  1.0
  O  O15  1  0.948  0.716  0.048  1.0
  O  O16  1  0.395  0.198  0.554  1.0
  O  O17  1  0.802  0.446  0.605  1.0
  O  O18  1  0.716  0.048  0.948  1.0
  O  O19  1  0.952  0.052  0.284  1.0
[/CIF]
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The structure described by MgWTl6O12 crystallizes in the trigonal R-3 space group. Mg(1) is bonded in an octahedral geometry to six equivalent O(2) atoms. W(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. Tl(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one W(1) and three equivalent Tl(1) atoms. In the second O site, O(2) is bonded to one Mg(1) and three equivalent Tl(1) atoms to form a mixture of distorted edge and corner-sharing OMgTl3 tetrahedra. is represented by the CIF card [CIF]
data_MgTl6WO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.721
_cell_length_b   6.721
_cell_length_c   6.721
_cell_angle_alpha   90.586
_cell_angle_beta   90.586
_cell_angle_gamma   90.586
_symmetry_Int_Tables_number   1
_cell_volume   303.600
_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  0.500  1.0
  Tl  Tl1  1  0.459  0.933  0.740  1.0
  Tl  Tl2  1  0.260  0.541  0.067  1.0
  Tl  Tl3  1  0.067  0.260  0.541  1.0
  Tl  Tl4  1  0.933  0.740  0.459  1.0
  Tl  Tl5  1  0.740  0.459  0.933  1.0
  Tl  Tl6  1  0.541  0.067  0.260  1.0
  W  W7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.048  0.948  0.716  1.0
  O  O9  1  0.284  0.952  0.052  1.0
  O  O10  1  0.198  0.554  0.395  1.0
  O  O11  1  0.605  0.802  0.446  1.0
  O  O12  1  0.052  0.284  0.952  1.0
  O  O13  1  0.446  0.605  0.802  1.0
  O  O14  1  0.554  0.395  0.198  1.0
  O  O15  1  0.948  0.716  0.048  1.0
  O  O16  1  0.395  0.198  0.554  1.0
  O  O17  1  0.802  0.446  0.605  1.0
  O  O18  1  0.716  0.048  0.948  1.0
  O  O19  1  0.952  0.052  0.284  1.0
[/CIF]
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