The material structure described by MgV2Te2O7F2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. V(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent F(1) atoms to form distorted edge-sharing VO4F2 octahedra. Te(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one Te(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one Te(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Te(1) atoms. F(1) is bonded in a water-like geometry to two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_MgV2Te2O7F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.167
_cell_length_b   5.225
_cell_length_c   8.259
_cell_angle_alpha   113.870
_cell_angle_beta   100.700
_cell_angle_gamma   80.039
_symmetry_Int_Tables_number   1
_cell_volume   199.162
_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  0.000  0.000  1.0
  V  V1  1  0.732  0.380  0.372  1.0
  V  V2  1  0.268  0.620  0.628  1.0
  Te  Te3  1  0.836  0.271  0.773  1.0
  Te  Te4  1  0.164  0.729  0.227  1.0
  O  O5  1  0.179  0.989  0.799  1.0
  O  O6  1  0.014  0.618  0.383  1.0
  O  O7  1  0.821  0.011  0.201  1.0
  O  O8  1  0.552  0.603  0.827  1.0
  O  O9  1  0.448  0.397  0.173  1.0
  O  O10  1  0.986  0.382  0.617  1.0
  O  O11  1  0.000  0.500  0.000  1.0
  F  F12  1  0.473  0.250  0.471  1.0
  F  F13  1  0.527  0.750  0.529  1.0
[/CIF]
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The material structure described by MgV2Te2O7F2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded in a distorted square co-planar geometry to two equivalent O(1) and two equivalent O(3) atoms. V(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent F(1) atoms to form distorted edge-sharing VO4F2 octahedra. Te(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one Te(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one Te(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Te(1) atoms. F(1) is bonded in a water-like geometry to two equivalent V(1) atoms. is represented by the CIF file [CIF]
data_MgV2Te2O7F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.167
_cell_length_b   5.225
_cell_length_c   8.259
_cell_angle_alpha   113.870
_cell_angle_beta   100.700
_cell_angle_gamma   80.039
_symmetry_Int_Tables_number   1
_cell_volume   199.162
_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  0.000  0.000  1.0
  V  V1  1  0.732  0.380  0.372  1.0
  V  V2  1  0.268  0.620  0.628  1.0
  Te  Te3  1  0.836  0.271  0.773  1.0
  Te  Te4  1  0.164  0.729  0.227  1.0
  O  O5  1  0.179  0.989  0.799  1.0
  O  O6  1  0.014  0.618  0.383  1.0
  O  O7  1  0.821  0.011  0.201  1.0
  O  O8  1  0.552  0.603  0.827  1.0
  O  O9  1  0.448  0.397  0.173  1.0
  O  O10  1  0.986  0.382  0.617  1.0
  O  O11  1  0.000  0.500  0.000  1.0
  F  F12  1  0.473  0.250  0.471  1.0
  F  F13  1  0.527  0.750  0.529  1.0
[/CIF]
.