The material described by MgV4O8 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form MgO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, 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 one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, 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 one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, 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 one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, 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. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(1), one V(2), and one V(3) atom to form a mixture of distorted edge and corner-sharing OMgV3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted 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 distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(4) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the seventh O site, O(7) is bonded to one Mg(1), one V(1), one V(2), and one V(4) atom to form a mixture of distorted edge and corner-sharing OMgV3 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one V(3), 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   5.991
_cell_length_b   6.005
_cell_length_c   6.027
_cell_angle_alpha   120.403
_cell_angle_beta   119.378
_cell_angle_gamma   90.138
_symmetry_Int_Tables_number   1
_cell_volume   153.608
_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  0.628  0.876  0.751  1.0
  V  V1  1  0.496  0.500  0.998  1.0
  V  V2  1  0.003  0.013  0.508  1.0
  V  V3  1  0.011  0.504  1.000  1.0
  V  V4  1  0.997  0.494  0.496  1.0
  O  O5  1  0.764  0.742  0.025  1.0
  O  O6  1  0.216  0.752  0.478  1.0
  O  O7  1  0.232  0.261  0.967  1.0
  O  O8  1  0.212  0.704  0.972  1.0
  O  O9  1  0.795  0.242  0.529  1.0
  O  O10  1  0.234  0.264  0.532  1.0
  O  O11  1  0.761  0.737  0.476  1.0
  O  O12  1  0.776  0.286  0.020  1.0
[/CIF]
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The material described by MgV4O8 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form MgO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, 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 one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, 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 one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, 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 one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, 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. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(1), one V(2), and one V(3) atom to form a mixture of distorted edge and corner-sharing OMgV3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted 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 distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(4) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one V(4) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(4) atom. In the seventh O site, O(7) is bonded to one Mg(1), one V(1), one V(2), and one V(4) atom to form a mixture of distorted edge and corner-sharing OMgV3 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one V(3), 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   5.991
_cell_length_b   6.005
_cell_length_c   6.027
_cell_angle_alpha   120.403
_cell_angle_beta   119.378
_cell_angle_gamma   90.138
_symmetry_Int_Tables_number   1
_cell_volume   153.608
_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  0.628  0.876  0.751  1.0
  V  V1  1  0.496  0.500  0.998  1.0
  V  V2  1  0.003  0.013  0.508  1.0
  V  V3  1  0.011  0.504  1.000  1.0
  V  V4  1  0.997  0.494  0.496  1.0
  O  O5  1  0.764  0.742  0.025  1.0
  O  O6  1  0.216  0.752  0.478  1.0
  O  O7  1  0.232  0.261  0.967  1.0
  O  O8  1  0.212  0.704  0.972  1.0
  O  O9  1  0.795  0.242  0.529  1.0
  O  O10  1  0.234  0.264  0.532  1.0
  O  O11  1  0.761  0.737  0.476  1.0
  O  O12  1  0.776  0.286  0.020  1.0
[/CIF]
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