The compound described by MgV2ZnO6 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-19°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-21°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. Zn(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one Zn(1) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one V(1), one V(2), and one Zn(1) atom to form distorted corner-sharing OMg2V2Zn trigonal bipyramids. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(1), and two equivalent Zn(1) atoms. In the fourth O site, O(4) is bonded in a water-like geometry to one Mg(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a square co-planar geometry to one Mg(1), one V(1), and two equivalent V(2) atoms. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(2), and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2ZnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.983
_cell_length_b   5.170
_cell_length_c   6.411
_cell_angle_alpha   110.905
_cell_angle_beta   90.004
_cell_angle_gamma   112.654
_symmetry_Int_Tables_number   1
_cell_volume   112.345
_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  0.478  0.957  0.255  1.0
  V  V1  1  0.185  0.370  0.630  1.0
  V  V2  1  0.805  0.610  0.376  1.0
  Zn  Zn3  1  0.946  0.893  0.933  1.0
  O  O4  1  0.019  0.038  0.690  1.0
  O  O5  1  0.978  0.957  0.269  1.0
  O  O6  1  0.349  0.698  0.904  1.0
  O  O7  1  0.652  0.304  0.128  1.0
  O  O8  1  0.316  0.633  0.429  1.0
  O  O9  1  0.691  0.383  0.576  1.0
[/CIF]
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The compound described by MgV2ZnO6 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-19°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(5), and two equivalent O(6) atoms to form distorted VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-21°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. Zn(1) is bonded in a distorted see-saw-like geometry to one O(1), one O(2), and two equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one Zn(1) atom. In the second O site, O(2) is bonded to two equivalent Mg(1), one V(1), one V(2), and one Zn(1) atom to form distorted corner-sharing OMg2V2Zn trigonal bipyramids. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(1), and two equivalent Zn(1) atoms. In the fourth O site, O(4) is bonded in a water-like geometry to one Mg(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a square co-planar geometry to one Mg(1), one V(1), and two equivalent V(2) atoms. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(2), and two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2ZnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.983
_cell_length_b   5.170
_cell_length_c   6.411
_cell_angle_alpha   110.905
_cell_angle_beta   90.004
_cell_angle_gamma   112.654
_symmetry_Int_Tables_number   1
_cell_volume   112.345
_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  0.478  0.957  0.255  1.0
  V  V1  1  0.185  0.370  0.630  1.0
  V  V2  1  0.805  0.610  0.376  1.0
  Zn  Zn3  1  0.946  0.893  0.933  1.0
  O  O4  1  0.019  0.038  0.690  1.0
  O  O5  1  0.978  0.957  0.269  1.0
  O  O6  1  0.349  0.698  0.904  1.0
  O  O7  1  0.652  0.304  0.128  1.0
  O  O8  1  0.316  0.633  0.429  1.0
  O  O9  1  0.691  0.383  0.576  1.0
[/CIF]
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