The material structure described by MgV2Zn4O8 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second V site, V(2) is bonded to two equivalent O(3) and four equivalent O(2) 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 four equivalent Zn(2)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Zn site, Zn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 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 Zn(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(1), one Zn(1), and two equivalent Zn(2) atoms to form distorted OMgVZn3 square pyramids that share corners with two equivalent O(2)MgV2Zn2 square pyramids, corners with four equivalent O(1)MgVZn3 square pyramids, corners with three equivalent O(3)VZn3 tetrahedra, edges with six equivalent O(2)MgV2Zn2 square pyramids, and  an edgeedge with one O(3)VZn3 tetrahedra. In the second O site, O(2) is bonded to one Mg(1), one V(1), one V(2), one Zn(1), and one Zn(2) atom to form OMgV2Zn2 square pyramids that share  a cornercorner with one O(1)MgVZn3 square pyramid, corners with five equivalent O(2)MgV2Zn2 square pyramids, corners with three equivalent O(3)VZn3 tetrahedra, edges with three equivalent O(2)MgV2Zn2 square pyramids, edges with three equivalent O(1)MgVZn3 square pyramids, and  an edgeedge with one O(3)VZn3 tetrahedra. In the third O site, O(3) is bonded to one V(2), one Zn(1), and two equivalent Zn(2) atoms to form OVZn3 tetrahedra that share corners with three equivalent O(1)MgVZn3 square pyramids, corners with six equivalent O(2)MgV2Zn2 square pyramids, corners with three equivalent O(3)VZn3 tetrahedra,  an edgeedge with one O(1)MgVZn3 square pyramid, and edges with two equivalent O(2)MgV2Zn2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2Zn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.026
_cell_length_b   6.026
_cell_length_c   6.294
_cell_angle_alpha   61.532
_cell_angle_beta   61.532
_cell_angle_gamma   59.105
_symmetry_Int_Tables_number   1
_cell_volume   164.090
_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  0.125  0.125  0.625  1.0
  V  V1  1  0.625  0.625  0.125  1.0
  V  V2  1  0.625  0.625  0.625  1.0
  Zn  Zn3  1  0.961  0.961  0.092  1.0
  Zn  Zn4  1  0.289  0.289  0.158  1.0
  Zn  Zn5  1  0.125  0.625  0.625  1.0
  Zn  Zn6  1  0.625  0.125  0.625  1.0
  O  O7  1  0.388  0.388  0.359  1.0
  O  O8  1  0.388  0.875  0.378  1.0
  O  O9  1  0.399  0.399  0.804  1.0
  O  O10  1  0.375  0.862  0.872  1.0
  O  O11  1  0.875  0.388  0.378  1.0
  O  O12  1  0.851  0.851  0.446  1.0
  O  O13  1  0.862  0.375  0.872  1.0
  O  O14  1  0.862  0.862  0.891  1.0
[/CIF]
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The material structure described by MgV2Zn4O8 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with four equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second V site, V(2) is bonded to two equivalent O(3) and four equivalent O(2) 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 four equivalent Zn(2)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms. In the second Zn site, Zn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 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 Zn(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one V(1), one Zn(1), and two equivalent Zn(2) atoms to form distorted OMgVZn3 square pyramids that share corners with two equivalent O(2)MgV2Zn2 square pyramids, corners with four equivalent O(1)MgVZn3 square pyramids, corners with three equivalent O(3)VZn3 tetrahedra, edges with six equivalent O(2)MgV2Zn2 square pyramids, and  an edgeedge with one O(3)VZn3 tetrahedra. In the second O site, O(2) is bonded to one Mg(1), one V(1), one V(2), one Zn(1), and one Zn(2) atom to form OMgV2Zn2 square pyramids that share  a cornercorner with one O(1)MgVZn3 square pyramid, corners with five equivalent O(2)MgV2Zn2 square pyramids, corners with three equivalent O(3)VZn3 tetrahedra, edges with three equivalent O(2)MgV2Zn2 square pyramids, edges with three equivalent O(1)MgVZn3 square pyramids, and  an edgeedge with one O(3)VZn3 tetrahedra. In the third O site, O(3) is bonded to one V(2), one Zn(1), and two equivalent Zn(2) atoms to form OVZn3 tetrahedra that share corners with three equivalent O(1)MgVZn3 square pyramids, corners with six equivalent O(2)MgV2Zn2 square pyramids, corners with three equivalent O(3)VZn3 tetrahedra,  an edgeedge with one O(1)MgVZn3 square pyramid, and edges with two equivalent O(2)MgV2Zn2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2Zn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.026
_cell_length_b   6.026
_cell_length_c   6.294
_cell_angle_alpha   61.532
_cell_angle_beta   61.532
_cell_angle_gamma   59.105
_symmetry_Int_Tables_number   1
_cell_volume   164.090
_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  0.125  0.125  0.625  1.0
  V  V1  1  0.625  0.625  0.125  1.0
  V  V2  1  0.625  0.625  0.625  1.0
  Zn  Zn3  1  0.961  0.961  0.092  1.0
  Zn  Zn4  1  0.289  0.289  0.158  1.0
  Zn  Zn5  1  0.125  0.625  0.625  1.0
  Zn  Zn6  1  0.625  0.125  0.625  1.0
  O  O7  1  0.388  0.388  0.359  1.0
  O  O8  1  0.388  0.875  0.378  1.0
  O  O9  1  0.399  0.399  0.804  1.0
  O  O10  1  0.375  0.862  0.872  1.0
  O  O11  1  0.875  0.388  0.378  1.0
  O  O12  1  0.851  0.851  0.446  1.0
  O  O13  1  0.862  0.375  0.872  1.0
  O  O14  1  0.862  0.862  0.891  1.0
[/CIF]
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