The crystal structure described by MgV3Zn2O8 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 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 three inequivalent V sites. In the first V site, V(1) 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(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the second V site, V(2) 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, and edges with two equivalent V(3)O6 octahedra. In the third V site, V(3) 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(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. Zn(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(4), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(3), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(1), and one V(2) atom. In the third O site, O(3) is bonded to one Mg(1), one V(2), one V(3), and two equivalent Zn(1) atoms to form a mixture of edge and corner-sharing OMgV2Zn2 trigonal bipyramids. 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(3), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV3Zn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.854
_cell_length_b   5.987
_cell_length_c   5.928
_cell_angle_alpha   62.089
_cell_angle_beta   94.499
_cell_angle_gamma   134.547
_symmetry_Int_Tables_number   1
_cell_volume   161.135
_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  0.625  0.750  0.125  1.0
  V  V1  1  0.625  0.250  0.125  1.0
  V  V2  1  0.625  0.250  0.625  1.0
  V  V3  1  0.625  0.750  0.625  1.0
  Zn  Zn4  1  0.112  0.071  0.001  1.0
  Zn  Zn5  1  0.137  0.428  0.250  1.0
  O  O6  1  0.845  0.327  0.357  1.0
  O  O7  1  0.447  0.201  0.367  1.0
  O  O8  1  0.803  0.299  0.883  1.0
  O  O9  1  0.858  0.854  0.353  1.0
  O  O10  1  0.834  0.812  0.867  1.0
  O  O11  1  0.405  0.173  0.893  1.0
  O  O12  1  0.416  0.688  0.383  1.0
  O  O13  1  0.392  0.646  0.897  1.0
[/CIF]
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The crystal structure described by MgV3Zn2O8 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 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 three inequivalent V sites. In the first V site, V(1) 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(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the second V site, V(2) 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, and edges with two equivalent V(3)O6 octahedra. In the third V site, V(3) 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(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. Zn(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(4), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(3), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one V(1), and one V(2) atom. In the third O site, O(3) is bonded to one Mg(1), one V(2), one V(3), and two equivalent Zn(1) atoms to form a mixture of edge and corner-sharing OMgV2Zn2 trigonal bipyramids. 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(3), and one Zn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV3Zn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.854
_cell_length_b   5.987
_cell_length_c   5.928
_cell_angle_alpha   62.089
_cell_angle_beta   94.499
_cell_angle_gamma   134.547
_symmetry_Int_Tables_number   1
_cell_volume   161.135
_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  0.625  0.750  0.125  1.0
  V  V1  1  0.625  0.250  0.125  1.0
  V  V2  1  0.625  0.250  0.625  1.0
  V  V3  1  0.625  0.750  0.625  1.0
  Zn  Zn4  1  0.112  0.071  0.001  1.0
  Zn  Zn5  1  0.137  0.428  0.250  1.0
  O  O6  1  0.845  0.327  0.357  1.0
  O  O7  1  0.447  0.201  0.367  1.0
  O  O8  1  0.803  0.299  0.883  1.0
  O  O9  1  0.858  0.854  0.353  1.0
  O  O10  1  0.834  0.812  0.867  1.0
  O  O11  1  0.405  0.173  0.893  1.0
  O  O12  1  0.416  0.688  0.383  1.0
  O  O13  1  0.392  0.646  0.897  1.0
[/CIF]
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