The structure described by MgV4O8 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent V(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(2), one V(3), and one V(4) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), one V(3), and one V(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one V(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.920
_cell_length_b   5.981
_cell_length_c   5.999
_cell_angle_alpha   119.486
_cell_angle_beta   120.008
_cell_angle_gamma   89.583
_symmetry_Int_Tables_number   1
_cell_volume   151.858
_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  0.500  1.0
  V  V1  1  0.500  0.500  0.000  1.0
  V  V2  1  0.000  1.000  0.500  1.0
  V  V3  1  1.000  0.500  0.000  1.0
  V  V4  1  0.000  0.500  0.500  1.0
  O  O5  1  0.756  0.713  0.015  1.0
  O  O6  1  0.218  0.741  0.460  1.0
  O  O7  1  0.244  0.287  0.985  1.0
  O  O8  1  0.241  0.718  0.986  1.0
  O  O9  1  0.782  0.259  0.540  1.0
  O  O10  1  0.254  0.261  0.539  1.0
  O  O11  1  0.746  0.739  0.461  1.0
  O  O12  1  0.759  0.282  0.014  1.0
[/CIF]
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The structure described by MgV4O8 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with six equivalent V(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(2), and one V(3) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(2), one V(3), and one V(4) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), one V(3), and one V(4) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one V(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.920
_cell_length_b   5.981
_cell_length_c   5.999
_cell_angle_alpha   119.486
_cell_angle_beta   120.008
_cell_angle_gamma   89.583
_symmetry_Int_Tables_number   1
_cell_volume   151.858
_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  0.500  1.0
  V  V1  1  0.500  0.500  0.000  1.0
  V  V2  1  0.000  1.000  0.500  1.0
  V  V3  1  1.000  0.500  0.000  1.0
  V  V4  1  0.000  0.500  0.500  1.0
  O  O5  1  0.756  0.713  0.015  1.0
  O  O6  1  0.218  0.741  0.460  1.0
  O  O7  1  0.244  0.287  0.985  1.0
  O  O8  1  0.241  0.718  0.986  1.0
  O  O9  1  0.782  0.259  0.540  1.0
  O  O10  1  0.254  0.261  0.539  1.0
  O  O11  1  0.746  0.739  0.461  1.0
  O  O12  1  0.759  0.282  0.014  1.0
[/CIF]
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