The material structure described by MgV4TlO10 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a bent 120 degrees geometry to two equivalent Tl(1), one O(1), and one O(10) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(3), one O(5), one O(8), one O(9), and two equivalent O(6) atoms. In the second V site, V(2) is bonded to one O(10), one O(4), one O(5), one O(8), and two equivalent O(7) atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 28°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(6), one O(8), and two equivalent O(3) atoms. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(7), and two equivalent O(4) atoms. Tl(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent O(2), and two equivalent O(9) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(3) and two equivalent Tl(1) atoms. In the third O site, O(3) is bonded to one V(1), one V(4), and two equivalent V(3) atoms to form a mixture of distorted edge and corner-sharing OV4 tetrahedra. In the fourth O site, O(4) is bonded to one V(2), one V(3), and two equivalent V(4) atoms to form a mixture of distorted edge and corner-sharing OV4 trigonal pyramids. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(1) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(4) and two equivalent V(2) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent Tl(1) atoms. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTlV4O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.810
_cell_length_b   6.393
_cell_length_c   10.302
_cell_angle_alpha   99.210
_cell_angle_beta   90.084
_cell_angle_gamma   107.316
_symmetry_Int_Tables_number   1
_cell_volume   236.104
_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  0.968  0.957  0.385  1.0
  Tl  Tl1  1  0.517  0.042  0.612  1.0
  V  V2  1  0.909  0.818  0.860  1.0
  V  V3  1  0.085  0.167  0.117  1.0
  V  V4  1  0.214  0.427  0.863  1.0
  V  V5  1  0.783  0.563  0.126  1.0
  O  O6  1  0.834  0.664  0.293  1.0
  O  O7  1  0.155  0.308  0.699  1.0
  O  O8  1  0.751  0.502  0.903  1.0
  O  O9  1  0.248  0.495  0.087  1.0
  O  O10  1  0.936  0.870  0.077  1.0
  O  O11  1  0.376  0.751  0.870  1.0
  O  O12  1  0.623  0.243  0.116  1.0
  O  O13  1  0.067  0.135  0.923  1.0
  O  O14  1  0.919  0.839  0.692  1.0
  O  O15  1  0.097  0.190  0.289  1.0
[/CIF]
.
The material structure described by MgV4TlO10 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a bent 120 degrees geometry to two equivalent Tl(1), one O(1), and one O(10) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(3), one O(5), one O(8), one O(9), and two equivalent O(6) atoms. In the second V site, V(2) is bonded to one O(10), one O(4), one O(5), one O(8), and two equivalent O(7) atoms to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 28°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(6), one O(8), and two equivalent O(3) atoms. In the fourth V site, V(4) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(5), one O(7), and two equivalent O(4) atoms. Tl(1) is bonded in a 6-coordinate geometry to two equivalent Mg(1), two equivalent O(2), and two equivalent O(9) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(4) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(3) and two equivalent Tl(1) atoms. In the third O site, O(3) is bonded to one V(1), one V(4), and two equivalent V(3) atoms to form a mixture of distorted edge and corner-sharing OV4 tetrahedra. In the fourth O site, O(4) is bonded to one V(2), one V(3), and two equivalent V(4) atoms to form a mixture of distorted edge and corner-sharing OV4 trigonal pyramids. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(1) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(4) and two equivalent V(2) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent Tl(1) atoms. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Mg(1) and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTlV4O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.810
_cell_length_b   6.393
_cell_length_c   10.302
_cell_angle_alpha   99.210
_cell_angle_beta   90.084
_cell_angle_gamma   107.316
_symmetry_Int_Tables_number   1
_cell_volume   236.104
_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  0.968  0.957  0.385  1.0
  Tl  Tl1  1  0.517  0.042  0.612  1.0
  V  V2  1  0.909  0.818  0.860  1.0
  V  V3  1  0.085  0.167  0.117  1.0
  V  V4  1  0.214  0.427  0.863  1.0
  V  V5  1  0.783  0.563  0.126  1.0
  O  O6  1  0.834  0.664  0.293  1.0
  O  O7  1  0.155  0.308  0.699  1.0
  O  O8  1  0.751  0.502  0.903  1.0
  O  O9  1  0.248  0.495  0.087  1.0
  O  O10  1  0.936  0.870  0.077  1.0
  O  O11  1  0.376  0.751  0.870  1.0
  O  O12  1  0.623  0.243  0.116  1.0
  O  O13  1  0.067  0.135  0.923  1.0
  O  O14  1  0.919  0.839  0.692  1.0
  O  O15  1  0.097  0.190  0.289  1.0
[/CIF]
.