The material described by MgV4ZnO10 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing VO5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(1), one O(4), one O(6), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing VO5 trigonal bipyramids. Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and two equivalent V(2) atoms to form OMg2V2 tetrahedra that share corners with two equivalent O(1)Mg2V2 tetrahedra, corners with two equivalent O(4)V3Zn trigonal pyramids, and edges with four equivalent O(3)MgV3 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent V(1) and two equivalent Zn(1) atoms to form OV2Zn2 tetrahedra that share corners with two equivalent O(2)V2Zn2 tetrahedra, corners with two equivalent O(3)MgV3 trigonal pyramids, and edges with four equivalent O(4)V3Zn trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one V(1), and two equivalent V(2) atoms to form distorted OMgV3 trigonal pyramids that share  a cornercorner with one O(2)V2Zn2 tetrahedra, corners with three equivalent O(3)MgV3 trigonal pyramids, edges with two equivalent O(1)Mg2V2 tetrahedra, and edges with two equivalent O(4)V3Zn trigonal pyramids. In the fourth O site, O(4) is bonded to one V(2), two equivalent V(1), and one Zn(1) atom to form distorted OV3Zn trigonal pyramids that share  a cornercorner with one O(1)Mg2V2 tetrahedra, corners with three equivalent O(4)V3Zn trigonal pyramids, edges with two equivalent O(2)V2Zn2 tetrahedra, and edges with two equivalent O(3)MgV3 trigonal pyramids. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one Zn(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(2) atom. is represented by the CIF card [CIF]
data_MgV4ZnO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.695
_cell_length_b   5.427
_cell_length_c   11.338
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.871
_symmetry_Int_Tables_number   1
_cell_volume   213.808
_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  0.108  0.214  0.250  1.0
  V  V1  1  0.202  0.404  0.597  1.0
  V  V2  1  0.799  0.597  0.401  1.0
  V  V3  1  0.799  0.597  0.099  1.0
  V  V4  1  0.202  0.404  0.903  1.0
  Zn  Zn5  1  0.896  0.792  0.750  1.0
  O  O6  1  0.697  0.393  0.250  1.0
  O  O7  1  0.303  0.605  0.750  1.0
  O  O8  1  0.233  0.465  0.077  1.0
  O  O9  1  0.765  0.530  0.926  1.0
  O  O10  1  0.765  0.530  0.574  1.0
  O  O11  1  0.233  0.465  0.423  1.0
  O  O12  1  0.043  0.085  0.629  1.0
  O  O13  1  0.958  0.916  0.371  1.0
  O  O14  1  0.043  0.085  0.871  1.0
  O  O15  1  0.958  0.916  0.129  1.0
[/CIF]
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The material described by MgV4ZnO10 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form a mixture of distorted edge and corner-sharing VO5 trigonal bipyramids. In the second V site, V(2) is bonded to one O(1), one O(4), one O(6), and two equivalent O(3) atoms to form a mixture of distorted edge and corner-sharing VO5 trigonal bipyramids. Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1) and two equivalent V(2) atoms to form OMg2V2 tetrahedra that share corners with two equivalent O(1)Mg2V2 tetrahedra, corners with two equivalent O(4)V3Zn trigonal pyramids, and edges with four equivalent O(3)MgV3 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent V(1) and two equivalent Zn(1) atoms to form OV2Zn2 tetrahedra that share corners with two equivalent O(2)V2Zn2 tetrahedra, corners with two equivalent O(3)MgV3 trigonal pyramids, and edges with four equivalent O(4)V3Zn trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one V(1), and two equivalent V(2) atoms to form distorted OMgV3 trigonal pyramids that share  a cornercorner with one O(2)V2Zn2 tetrahedra, corners with three equivalent O(3)MgV3 trigonal pyramids, edges with two equivalent O(1)Mg2V2 tetrahedra, and edges with two equivalent O(4)V3Zn trigonal pyramids. In the fourth O site, O(4) is bonded to one V(2), two equivalent V(1), and one Zn(1) atom to form distorted OV3Zn trigonal pyramids that share  a cornercorner with one O(1)Mg2V2 tetrahedra, corners with three equivalent O(4)V3Zn trigonal pyramids, edges with two equivalent O(2)V2Zn2 tetrahedra, and edges with two equivalent O(3)MgV3 trigonal pyramids. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one Zn(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mg(1) and one V(2) atom. is represented by the CIF card [CIF]
data_MgV4ZnO10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.695
_cell_length_b   5.427
_cell_length_c   11.338
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.871
_symmetry_Int_Tables_number   1
_cell_volume   213.808
_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  0.108  0.214  0.250  1.0
  V  V1  1  0.202  0.404  0.597  1.0
  V  V2  1  0.799  0.597  0.401  1.0
  V  V3  1  0.799  0.597  0.099  1.0
  V  V4  1  0.202  0.404  0.903  1.0
  Zn  Zn5  1  0.896  0.792  0.750  1.0
  O  O6  1  0.697  0.393  0.250  1.0
  O  O7  1  0.303  0.605  0.750  1.0
  O  O8  1  0.233  0.465  0.077  1.0
  O  O9  1  0.765  0.530  0.926  1.0
  O  O10  1  0.765  0.530  0.574  1.0
  O  O11  1  0.233  0.465  0.423  1.0
  O  O12  1  0.043  0.085  0.629  1.0
  O  O13  1  0.958  0.916  0.371  1.0
  O  O14  1  0.043  0.085  0.871  1.0
  O  O15  1  0.958  0.916  0.129  1.0
[/CIF]
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