The material described by MgV2Tl2O7(Tl)2 crystallizes in the trigonal P-3m1 space group. The structure consists of two 7440-28-0 atoms inside a MgV2Tl2O7 framework. In the MgV2Tl2O7 framework, Mg(1) is bonded to six equivalent O(1) atoms to form distorted MgO6 octahedra that share faces with two equivalent V(1)O4 trigonal pyramids. V(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted VO4 trigonal pyramids that share  a cornercorner with one V(1)O4 trigonal pyramid and  a faceface with one Mg(1)O6 octahedra. Tl(2) is bonded in a distorted T-shaped geometry to three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one Tl(2) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_MgTl4V2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.144
_cell_length_b   6.144
_cell_length_c   8.588
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   280.808
_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  0.667  0.333  0.922  1.0
  Tl  Tl2  1  0.333  0.667  0.078  1.0
  Tl  Tl3  1  0.667  0.333  0.363  1.0
  Tl  Tl4  1  0.333  0.667  0.637  1.0
  V  V5  1  0.000  0.000  0.712  1.0
  V  V6  1  0.000  0.000  0.288  1.0
  O  O7  1  0.853  0.147  0.179  1.0
  O  O8  1  0.853  0.705  0.179  1.0
  O  O9  1  0.295  0.147  0.179  1.0
  O  O10  1  0.705  0.853  0.821  1.0
  O  O11  1  0.147  0.295  0.821  1.0
  O  O12  1  0.147  0.853  0.821  1.0
  O  O13  1  0.000  0.000  0.500  1.0
[/CIF]
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The material described by MgV2Tl2O7(Tl)2 crystallizes in the trigonal P-3m1 space group. The structure consists of two 7440-28-0 atoms inside a MgV2Tl2O7 framework. In the MgV2Tl2O7 framework, Mg(1) is bonded to six equivalent O(1) atoms to form distorted MgO6 octahedra that share faces with two equivalent V(1)O4 trigonal pyramids. V(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted VO4 trigonal pyramids that share  a cornercorner with one V(1)O4 trigonal pyramid and  a faceface with one Mg(1)O6 octahedra. Tl(2) is bonded in a distorted T-shaped geometry to three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one Tl(2) atom. In the second O site, O(2) is bonded in a linear geometry to two equivalent V(1) atoms. is represented by the CIF card [CIF]
data_MgTl4V2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.144
_cell_length_b   6.144
_cell_length_c   8.588
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   280.808
_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  0.667  0.333  0.922  1.0
  Tl  Tl2  1  0.333  0.667  0.078  1.0
  Tl  Tl3  1  0.667  0.333  0.363  1.0
  Tl  Tl4  1  0.333  0.667  0.637  1.0
  V  V5  1  0.000  0.000  0.712  1.0
  V  V6  1  0.000  0.000  0.288  1.0
  O  O7  1  0.853  0.147  0.179  1.0
  O  O8  1  0.853  0.705  0.179  1.0
  O  O9  1  0.295  0.147  0.179  1.0
  O  O10  1  0.705  0.853  0.821  1.0
  O  O11  1  0.147  0.295  0.821  1.0
  O  O12  1  0.147  0.853  0.821  1.0
  O  O13  1  0.000  0.000  0.500  1.0
[/CIF]
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