The compound described by MgV2Zn2O7 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to one O(3), two equivalent O(2), and two equivalent O(4) atoms to form MgO5 trigonal bipyramids that share corners with two equivalent V(1)O5 trigonal bipyramids, edges with two equivalent Zn(1)O6 octahedra, and edges with two equivalent V(1)O5 trigonal bipyramids. V(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form VO5 trigonal bipyramids that share corners with two equivalent Zn(1)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one V(1)O5 trigonal bipyramid,  an edgeedge with one Zn(1)O6 octahedra,  an edgeedge with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 22-57°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted ZnO6 octahedra that share corners with four equivalent V(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent V(1)O5 trigonal bipyramids. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent V(1), one Zn(1), and one Zn(2) atom to form distorted OV2Zn2 tetrahedra that share corners with four equivalent O(4)MgVZn2 tetrahedra,  an edgeedge with one O(4)MgVZn2 tetrahedra, and edges with two equivalent O(1)V2Zn2 tetrahedra. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one V(1), one Zn(1), and one Zn(2) atom to form distorted OMgVZn2 tetrahedra that share corners with three equivalent O(4)MgVZn2 tetrahedra, corners with four equivalent O(1)V2Zn2 tetrahedra, and  an edgeedge with one O(1)V2Zn2 tetrahedra. is represented by the CIF file [CIF]
data_MgV2Zn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.265
_cell_length_b   5.610
_cell_length_c   5.610
_cell_angle_alpha   110.463
_cell_angle_beta   100.399
_cell_angle_gamma   100.399
_symmetry_Int_Tables_number   1
_cell_volume   147.296
_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  0.000  0.212  0.788  1.0
  V  V1  1  0.872  0.252  0.249  1.0
  V  V2  1  0.128  0.751  0.748  1.0
  Zn  Zn3  1  0.500  0.341  0.659  1.0
  Zn  Zn4  1  0.500  0.688  0.312  1.0
  O  O5  1  0.226  0.467  0.444  1.0
  O  O6  1  0.774  0.556  0.533  1.0
  O  O7  1  0.255  0.998  0.639  1.0
  O  O8  1  0.745  0.361  0.002  1.0
  O  O9  1  0.000  0.992  0.008  1.0
  O  O10  1  0.283  0.570  0.939  1.0
  O  O11  1  0.717  0.061  0.430  1.0
[/CIF]
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The compound described by MgV2Zn2O7 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to one O(3), two equivalent O(2), and two equivalent O(4) atoms to form MgO5 trigonal bipyramids that share corners with two equivalent V(1)O5 trigonal bipyramids, edges with two equivalent Zn(1)O6 octahedra, and edges with two equivalent V(1)O5 trigonal bipyramids. V(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form VO5 trigonal bipyramids that share corners with two equivalent Zn(1)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one V(1)O5 trigonal bipyramid,  an edgeedge with one Zn(1)O6 octahedra,  an edgeedge with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 22-57°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted ZnO6 octahedra that share corners with four equivalent V(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent V(1)O5 trigonal bipyramids. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent V(1), one Zn(1), and one Zn(2) atom to form distorted OV2Zn2 tetrahedra that share corners with four equivalent O(4)MgVZn2 tetrahedra,  an edgeedge with one O(4)MgVZn2 tetrahedra, and edges with two equivalent O(1)V2Zn2 tetrahedra. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one V(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Mg(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one V(1), one Zn(1), and one Zn(2) atom to form distorted OMgVZn2 tetrahedra that share corners with three equivalent O(4)MgVZn2 tetrahedra, corners with four equivalent O(1)V2Zn2 tetrahedra, and  an edgeedge with one O(1)V2Zn2 tetrahedra. is represented by the CIF file [CIF]
data_MgV2Zn2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.265
_cell_length_b   5.610
_cell_length_c   5.610
_cell_angle_alpha   110.463
_cell_angle_beta   100.399
_cell_angle_gamma   100.399
_symmetry_Int_Tables_number   1
_cell_volume   147.296
_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  0.000  0.212  0.788  1.0
  V  V1  1  0.872  0.252  0.249  1.0
  V  V2  1  0.128  0.751  0.748  1.0
  Zn  Zn3  1  0.500  0.341  0.659  1.0
  Zn  Zn4  1  0.500  0.688  0.312  1.0
  O  O5  1  0.226  0.467  0.444  1.0
  O  O6  1  0.774  0.556  0.533  1.0
  O  O7  1  0.255  0.998  0.639  1.0
  O  O8  1  0.745  0.361  0.002  1.0
  O  O9  1  0.000  0.992  0.008  1.0
  O  O10  1  0.283  0.570  0.939  1.0
  O  O11  1  0.717  0.061  0.430  1.0
[/CIF]
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