The compound described by MgV8Zn4O16 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(6), two equivalent O(15), and two equivalent O(7) atoms to form distorted MgO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  a cornercorner with one V(3)O5 trigonal bipyramid, corners with two equivalent Zn(2)O4 trigonal pyramids, corners with two equivalent Zn(4)O4 trigonal pyramids, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(7)O6 octahedra,  a faceface with one V(2)O6 octahedra, and  a faceface with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-37°. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(13), one O(16), two equivalent O(11), and two equivalent O(9) atoms to form VO6 octahedra that share  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent Zn(3)O4 tetrahedra,  a cornercorner with one Zn(2)O4 trigonal pyramid,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and  an edgeedge with one Zn(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 6-58°. In the second V site, V(2) is bonded to one O(4), one O(6), two equivalent O(3), and two equivalent O(7) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with two equivalent Zn(2)O4 trigonal pyramids,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(7)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-35°. In the third V site, V(3) is bonded to one O(1), one O(10), one O(8), and two equivalent O(2) atoms to form VO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(7)O6 octahedra,  a cornercorner with one Zn(3)O4 tetrahedra, corners with two equivalent V(3)O5 trigonal bipyramids, corners with two equivalent Zn(4)O4 trigonal pyramids, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-65°. In the fourth V site, V(4) is bonded to one O(5), one O(6), two equivalent O(15), and two equivalent O(9) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(8)O4 tetrahedra, corners with two equivalent Zn(4)O4 trigonal pyramids,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with two equivalent Zn(2)O4 trigonal pyramids, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-37°. In the fifth V site, V(5) is bonded to one O(11), one O(8), two equivalent O(14), and two equivalent O(16) atoms to form VO6 octahedra that share  a cornercorner with one Zn(3)O4 tetrahedra, corners with two equivalent V(8)O4 tetrahedra,  a cornercorner with one V(3)O5 trigonal bipyramid, corners with two equivalent Zn(2)O4 trigonal pyramids, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Zn(4)O4 trigonal pyramids. In the sixth V site, V(6) is bonded to one O(13), one O(2), two equivalent O(1), and two equivalent O(3) atoms to form VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Zn(3)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent V(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 12-58°. In the seventh V site, V(7) is bonded to one O(12), one O(7), two equivalent O(10), and two equivalent O(4) atoms to form VO6 octahedra that share  a cornercorner with one V(8)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with two equivalent V(3)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(7)O6 octahedra. In the eighth V site, V(8) is bonded to one O(12), one O(14), and two equivalent O(5) atoms to form VO4 tetrahedra that share  a cornercorner with one V(7)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent V(8)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, and  a cornercorner with one Zn(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 49-68°. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(13) atoms. In the second Zn site, Zn(2) is bonded to one O(16), one O(9), and two equivalent O(6) atoms to form distorted ZnO4 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent Zn(2)O4 trigonal pyramids,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-81°. In the third Zn site, Zn(3) is bonded to one O(1), one O(11), and two equivalent O(12) atoms to form ZnO4 tetrahedra that share  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with two equivalent V(8)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, and  a cornercorner with one V(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 56-69°. In the fourth Zn site, Zn(4) is bonded to one O(14), one O(15), and two equivalent O(8) atoms to form distorted ZnO4 trigonal pyramids that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  a cornercorner with one V(8)O4 tetrahedra, corners with two equivalent V(3)O5 trigonal bipyramids, corners with two equivalent Zn(4)O4 trigonal pyramids, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-85°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one V(3), two equivalent V(6), and one Zn(3) atom to form distorted OV3Zn trigonal pyramids that share corners with two equivalent O(3)V4Zn square pyramids,  a cornercorner with one O(8)V2Zn2 tetrahedra,  a cornercorner with one O(11)V3Zn tetrahedra, corners with two equivalent O(12)V2Zn2 tetrahedra, corners with two equivalent O(13)V2Zn2 tetrahedra, corners with two equivalent O(1)V3Zn trigonal pyramids, and  an edgeedge with one O(3)V4Zn square pyramid. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one V(6) and two equivalent V(3) atoms. In the third O site, O(3) is bonded to two equivalent V(2), two equivalent V(6), and one Zn(1) atom to form OV4Zn square pyramids that share corners with two equivalent O(7)Mg2V3 square pyramids, corners with two equivalent O(6)MgV2Zn2 trigonal bipyramids,  a cornercorner with one O(4)V3Zn trigonal pyramid, corners with two equivalent O(1)V3Zn trigonal pyramids,  an edgeedge with one O(7)Mg2V3 square pyramid, edges with two equivalent O(3)V4Zn square pyramids, edges with two equivalent O(13)V2Zn2 tetrahedra,  an edgeedge with one O(1)V3Zn trigonal pyramid, and  an edgeedge with one O(4)V3Zn trigonal pyramid. In the fourth O site, O(4) is bonded to one V(2), two equivalent V(7), and one Zn(1) atom to form OV3Zn trigonal pyramids that share  a cornercorner with one O(3)V4Zn square pyramid, corners with two equivalent O(12)V2Zn2 tetrahedra, corners with two equivalent O(13)V2Zn2 tetrahedra,  a cornercorner with one O(6)MgV2Zn2 trigonal bipyramid, corners with two equivalent O(4)V3Zn trigonal pyramids,  an edgeedge with one O(3)V4Zn square pyramid, and edges with two equivalent O(7)Mg2V3 square pyramids. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one V(4) and two equivalent V(8) atoms. In the sixth O site, O(6) is bonded to one Mg(1), one V(2), one V(4), and two equivalent Zn(2) atoms to form distorted OMgV2Zn2 trigonal bipyramids that share corners with two equivalent O(3)V4Zn square pyramids, corners with two equivalent O(6)MgV2Zn2 trigonal bipyramids,  a cornercorner with one O(4)V3Zn trigonal pyramid, corners with two equivalent O(16)V3Zn trigonal pyramids, edges with two equivalent O(7)Mg2V3 square pyramids, edges with two equivalent O(9)V4Zn square pyramids, and edges with two equivalent O(15)Mg2V2Zn trigonal bipyramids. In the seventh O site, O(7) is bonded to two equivalent Mg(1), one V(7), and two equivalent V(2) atoms to form distorted OMg2V3 square pyramids that share corners with two equivalent O(3)V4Zn square pyramids,  a cornercorner with one O(12)V2Zn2 tetrahedra, corners with two equivalent O(15)Mg2V2Zn trigonal bipyramids,  an edgeedge with one O(3)V4Zn square pyramid, edges with two equivalent O(7)Mg2V3 square pyramids,  an edgeedge with one O(15)Mg2V2Zn trigonal bipyramid, edges with two equivalent O(6)MgV2Zn2 trigonal bipyramids, and edges with two equivalent O(4)V3Zn trigonal pyramids. In the eighth O site, O(8) is bonded to one V(3), one V(5), and two equivalent Zn(4) atoms to form OV2Zn2 tetrahedra that share  a cornercorner with one O(11)V3Zn tetrahedra, corners with two equivalent O(8)V2Zn2 tetrahedra, corners with two equivalent O(15)Mg2V2Zn trigonal bipyramids,  a cornercorner with one O(1)V3Zn trigonal pyramid, and corners with two equivalent O(16)V3Zn trigonal pyramids. In the ninth O site, O(9) is bonded to two equivalent V(1), two equivalent V(4), and one Zn(2) atom to form OV4Zn square pyramids that share corners with two equivalent O(13)V2Zn2 tetrahedra, corners with two equivalent O(11)V3Zn tetrahedra, corners with two equivalent O(15)Mg2V2Zn trigonal bipyramids,  a cornercorner with one O(16)V3Zn trigonal pyramid, edges with two equivalent O(9)V4Zn square pyramids,  an edgeedge with one O(11)V3Zn tetrahedra,  an edgeedge with one O(15)Mg2V2Zn trigonal bipyramid, edges with two equivalent O(6)MgV2Zn2 trigonal bipyramids, and  an edgeedge with one O(16)V3Zn trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(3), and two equivalent V(7) atoms. In the eleventh O site, O(11) is bonded to one V(5), two equivalent V(1), and one Zn(3) atom to form OV3Zn tetrahedra that share corners with two equivalent O(9)V4Zn square pyramids,  a cornercorner with one O(8)V2Zn2 tetrahedra, corners with two equivalent O(12)V2Zn2 tetrahedra, corners with two equivalent O(13)V2Zn2 tetrahedra, corners with two equivalent O(11)V3Zn tetrahedra,  a cornercorner with one O(1)V3Zn trigonal pyramid,  an edgeedge with one O(9)V4Zn square pyramid, and edges with two equivalent O(16)V3Zn trigonal pyramids. In the twelfth O site, O(12) is bonded to one V(7), one V(8), and two equivalent Zn(3) atoms to form OV2Zn2 tetrahedra that share  a cornercorner with one O(7)Mg2V3 square pyramid, corners with two equivalent O(12)V2Zn2 tetrahedra, corners with two equivalent O(11)V3Zn tetrahedra, corners with two equivalent O(1)V3Zn trigonal pyramids, and corners with two equivalent O(4)V3Zn trigonal pyramids. In the thirteenth O site, O(13) is bonded to one V(1), one V(6), and two equivalent Zn(1) atoms to form distorted OV2Zn2 tetrahedra that share corners with two equivalent O(9)V4Zn square pyramids, corners with two equivalent O(13)V2Zn2 tetrahedra, corners with two equivalent O(11)V3Zn tetrahedra,  a cornercorner with one O(16)V3Zn trigonal pyramid, corners with two equivalent O(1)V3Zn trigonal pyramids, corners with two equivalent O(4)V3Zn trigonal pyramids, and edges with two equivalent O(3)V4Zn square pyramids. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one V(8), two equivalent V(5), and one Zn(4) atom. In the fifteenth O site, O(15) is bonded to two equivalent Mg(1), two equivalent V(4), and one Zn(4) atom to form distorted OMg2V2Zn trigonal bipyramids that share corners with two equivalent O(7)Mg2V3 square pyramids, corners with two equivalent O(9)V4Zn square pyramids, corners with two equivalent O(8)V2Zn2 tetrahedra,  an edgeedge with one O(7)Mg2V3 square pyramid,  an edgeedge with one O(9)V4Zn square pyramid, edges with two equivalent O(15)Mg2V2Zn trigonal bipyramids, and edges with two equivalent O(6)MgV2Zn2 trigonal bipyramids. In the sixteenth O site, O(16) is bonded to one V(1), two equivalent V(5), and one Zn(2) atom to form distorted OV3Zn trigonal pyramids that share  a cornercorner with one O(9)V4Zn square pyramid,  a cornercorner with one O(13)V2Zn2 tetrahedra, corners with two equivalent O(8)V2Zn2 tetrahedra, corners with two equivalent O(6)MgV2Zn2 trigonal bipyramids, corners with two equivalent O(16)V3Zn trigonal pyramids,  an edgeedge with one O(9)V4Zn square pyramid, and edges with two equivalent O(11)V3Zn tetrahedra. is represented by the CIF card [CIF]
data_MgV8Zn4O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.130
_cell_length_b   10.830
_cell_length_c   10.046
_cell_angle_alpha   95.693
_cell_angle_beta   83.279
_cell_angle_gamma   90.814
_symmetry_Int_Tables_number   1
_cell_volume   336.524
_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  0.895  0.190  0.988  1.0
  V  V1  1  0.640  0.576  0.372  1.0
  V  V2  1  0.799  0.034  0.173  1.0
  V  V3  1  0.066  0.084  0.629  1.0
  V  V4  1  0.842  0.431  0.097  1.0
  V  V5  1  0.057  0.444  0.589  1.0
  V  V6  1  0.651  0.915  0.412  1.0
  V  V7  1  0.428  0.933  0.907  1.0
  V  V8  1  0.504  0.619  0.881  1.0
  Zn  Zn9  1  0.180  0.776  0.172  1.0
  Zn  Zn10  1  0.286  0.307  0.307  1.0
  Zn  Zn11  1  0.045  0.755  0.648  1.0
  Zn  Zn12  1  0.495  0.327  0.787  1.0
  O  O13  1  0.104  0.893  0.540  1.0
  O  O14  1  0.612  0.087  0.519  1.0
  O  O15  1  0.231  0.955  0.281  1.0
  O  O16  1  0.911  0.866  0.024  1.0
  O  O17  1  0.962  0.592  0.987  1.0
  O  O18  1  0.824  0.245  0.205  1.0
  O  O19  1  0.367  0.079  0.041  1.0
  O  O20  1  0.034  0.276  0.679  1.0
  O  O21  1  0.259  0.497  0.241  1.0
  O  O22  1  0.944  0.030  0.813  1.0
  O  O23  1  0.075  0.610  0.508  1.0
  O  O24  1  0.493  0.767  0.779  1.0
  O  O25  1  0.652  0.737  0.291  1.0
  O  O26  1  0.531  0.500  0.721  1.0
  O  O27  1  0.395  0.324  0.977  1.0
  O  O28  1  0.574  0.402  0.460  1.0
[/CIF]
.
The compound described by MgV8Zn4O16 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(6), two equivalent O(15), and two equivalent O(7) atoms to form distorted MgO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  a cornercorner with one V(3)O5 trigonal bipyramid, corners with two equivalent Zn(2)O4 trigonal pyramids, corners with two equivalent Zn(4)O4 trigonal pyramids, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(7)O6 octahedra,  a faceface with one V(2)O6 octahedra, and  a faceface with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-37°. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one O(13), one O(16), two equivalent O(11), and two equivalent O(9) atoms to form VO6 octahedra that share  a cornercorner with one V(6)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent Zn(3)O4 tetrahedra,  a cornercorner with one Zn(2)O4 trigonal pyramid,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and  an edgeedge with one Zn(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 6-58°. In the second V site, V(2) is bonded to one O(4), one O(6), two equivalent O(3), and two equivalent O(7) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(4)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with two equivalent Zn(2)O4 trigonal pyramids,  an edgeedge with one V(6)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(7)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-35°. In the third V site, V(3) is bonded to one O(1), one O(10), one O(8), and two equivalent O(2) atoms to form VO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(7)O6 octahedra,  a cornercorner with one Zn(3)O4 tetrahedra, corners with two equivalent V(3)O5 trigonal bipyramids, corners with two equivalent Zn(4)O4 trigonal pyramids, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-65°. In the fourth V site, V(4) is bonded to one O(5), one O(6), two equivalent O(15), and two equivalent O(9) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(8)O4 tetrahedra, corners with two equivalent Zn(4)O4 trigonal pyramids,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with two equivalent Zn(2)O4 trigonal pyramids, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-37°. In the fifth V site, V(5) is bonded to one O(11), one O(8), two equivalent O(14), and two equivalent O(16) atoms to form VO6 octahedra that share  a cornercorner with one Zn(3)O4 tetrahedra, corners with two equivalent V(8)O4 tetrahedra,  a cornercorner with one V(3)O5 trigonal bipyramid, corners with two equivalent Zn(2)O4 trigonal pyramids, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Zn(4)O4 trigonal pyramids. In the sixth V site, V(6) is bonded to one O(13), one O(2), two equivalent O(1), and two equivalent O(3) atoms to form VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Zn(3)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent V(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 12-58°. In the seventh V site, V(7) is bonded to one O(12), one O(7), two equivalent O(10), and two equivalent O(4) atoms to form VO6 octahedra that share  a cornercorner with one V(8)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with two equivalent V(3)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(7)O6 octahedra. In the eighth V site, V(8) is bonded to one O(12), one O(14), and two equivalent O(5) atoms to form VO4 tetrahedra that share  a cornercorner with one V(7)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent V(8)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, and  a cornercorner with one Zn(4)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 49-68°. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a rectangular see-saw-like geometry to one O(3), one O(4), and two equivalent O(13) atoms. In the second Zn site, Zn(2) is bonded to one O(16), one O(9), and two equivalent O(6) atoms to form distorted ZnO4 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(5)O6 octahedra, corners with two equivalent Zn(2)O4 trigonal pyramids,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-81°. In the third Zn site, Zn(3) is bonded to one O(1), one O(11), and two equivalent O(12) atoms to form ZnO4 tetrahedra that share  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with two equivalent V(8)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, and  a cornercorner with one V(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 56-69°. In the fourth Zn site, Zn(4) is bonded to one O(14), one O(15), and two equivalent O(8) atoms to form distorted ZnO4 trigonal pyramids that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  a cornercorner with one V(8)O4 tetrahedra, corners with two equivalent V(3)O5 trigonal bipyramids, corners with two equivalent Zn(4)O4 trigonal pyramids, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-85°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one V(3), two equivalent V(6), and one Zn(3) atom to form distorted OV3Zn trigonal pyramids that share corners with two equivalent O(3)V4Zn square pyramids,  a cornercorner with one O(8)V2Zn2 tetrahedra,  a cornercorner with one O(11)V3Zn tetrahedra, corners with two equivalent O(12)V2Zn2 tetrahedra, corners with two equivalent O(13)V2Zn2 tetrahedra, corners with two equivalent O(1)V3Zn trigonal pyramids, and  an edgeedge with one O(3)V4Zn square pyramid. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one V(6) and two equivalent V(3) atoms. In the third O site, O(3) is bonded to two equivalent V(2), two equivalent V(6), and one Zn(1) atom to form OV4Zn square pyramids that share corners with two equivalent O(7)Mg2V3 square pyramids, corners with two equivalent O(6)MgV2Zn2 trigonal bipyramids,  a cornercorner with one O(4)V3Zn trigonal pyramid, corners with two equivalent O(1)V3Zn trigonal pyramids,  an edgeedge with one O(7)Mg2V3 square pyramid, edges with two equivalent O(3)V4Zn square pyramids, edges with two equivalent O(13)V2Zn2 tetrahedra,  an edgeedge with one O(1)V3Zn trigonal pyramid, and  an edgeedge with one O(4)V3Zn trigonal pyramid. In the fourth O site, O(4) is bonded to one V(2), two equivalent V(7), and one Zn(1) atom to form OV3Zn trigonal pyramids that share  a cornercorner with one O(3)V4Zn square pyramid, corners with two equivalent O(12)V2Zn2 tetrahedra, corners with two equivalent O(13)V2Zn2 tetrahedra,  a cornercorner with one O(6)MgV2Zn2 trigonal bipyramid, corners with two equivalent O(4)V3Zn trigonal pyramids,  an edgeedge with one O(3)V4Zn square pyramid, and edges with two equivalent O(7)Mg2V3 square pyramids. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one V(4) and two equivalent V(8) atoms. In the sixth O site, O(6) is bonded to one Mg(1), one V(2), one V(4), and two equivalent Zn(2) atoms to form distorted OMgV2Zn2 trigonal bipyramids that share corners with two equivalent O(3)V4Zn square pyramids, corners with two equivalent O(6)MgV2Zn2 trigonal bipyramids,  a cornercorner with one O(4)V3Zn trigonal pyramid, corners with two equivalent O(16)V3Zn trigonal pyramids, edges with two equivalent O(7)Mg2V3 square pyramids, edges with two equivalent O(9)V4Zn square pyramids, and edges with two equivalent O(15)Mg2V2Zn trigonal bipyramids. In the seventh O site, O(7) is bonded to two equivalent Mg(1), one V(7), and two equivalent V(2) atoms to form distorted OMg2V3 square pyramids that share corners with two equivalent O(3)V4Zn square pyramids,  a cornercorner with one O(12)V2Zn2 tetrahedra, corners with two equivalent O(15)Mg2V2Zn trigonal bipyramids,  an edgeedge with one O(3)V4Zn square pyramid, edges with two equivalent O(7)Mg2V3 square pyramids,  an edgeedge with one O(15)Mg2V2Zn trigonal bipyramid, edges with two equivalent O(6)MgV2Zn2 trigonal bipyramids, and edges with two equivalent O(4)V3Zn trigonal pyramids. In the eighth O site, O(8) is bonded to one V(3), one V(5), and two equivalent Zn(4) atoms to form OV2Zn2 tetrahedra that share  a cornercorner with one O(11)V3Zn tetrahedra, corners with two equivalent O(8)V2Zn2 tetrahedra, corners with two equivalent O(15)Mg2V2Zn trigonal bipyramids,  a cornercorner with one O(1)V3Zn trigonal pyramid, and corners with two equivalent O(16)V3Zn trigonal pyramids. In the ninth O site, O(9) is bonded to two equivalent V(1), two equivalent V(4), and one Zn(2) atom to form OV4Zn square pyramids that share corners with two equivalent O(13)V2Zn2 tetrahedra, corners with two equivalent O(11)V3Zn tetrahedra, corners with two equivalent O(15)Mg2V2Zn trigonal bipyramids,  a cornercorner with one O(16)V3Zn trigonal pyramid, edges with two equivalent O(9)V4Zn square pyramids,  an edgeedge with one O(11)V3Zn tetrahedra,  an edgeedge with one O(15)Mg2V2Zn trigonal bipyramid, edges with two equivalent O(6)MgV2Zn2 trigonal bipyramids, and  an edgeedge with one O(16)V3Zn trigonal pyramid. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Mg(1), one V(3), and two equivalent V(7) atoms. In the eleventh O site, O(11) is bonded to one V(5), two equivalent V(1), and one Zn(3) atom to form OV3Zn tetrahedra that share corners with two equivalent O(9)V4Zn square pyramids,  a cornercorner with one O(8)V2Zn2 tetrahedra, corners with two equivalent O(12)V2Zn2 tetrahedra, corners with two equivalent O(13)V2Zn2 tetrahedra, corners with two equivalent O(11)V3Zn tetrahedra,  a cornercorner with one O(1)V3Zn trigonal pyramid,  an edgeedge with one O(9)V4Zn square pyramid, and edges with two equivalent O(16)V3Zn trigonal pyramids. In the twelfth O site, O(12) is bonded to one V(7), one V(8), and two equivalent Zn(3) atoms to form OV2Zn2 tetrahedra that share  a cornercorner with one O(7)Mg2V3 square pyramid, corners with two equivalent O(12)V2Zn2 tetrahedra, corners with two equivalent O(11)V3Zn tetrahedra, corners with two equivalent O(1)V3Zn trigonal pyramids, and corners with two equivalent O(4)V3Zn trigonal pyramids. In the thirteenth O site, O(13) is bonded to one V(1), one V(6), and two equivalent Zn(1) atoms to form distorted OV2Zn2 tetrahedra that share corners with two equivalent O(9)V4Zn square pyramids, corners with two equivalent O(13)V2Zn2 tetrahedra, corners with two equivalent O(11)V3Zn tetrahedra,  a cornercorner with one O(16)V3Zn trigonal pyramid, corners with two equivalent O(1)V3Zn trigonal pyramids, corners with two equivalent O(4)V3Zn trigonal pyramids, and edges with two equivalent O(3)V4Zn square pyramids. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one V(8), two equivalent V(5), and one Zn(4) atom. In the fifteenth O site, O(15) is bonded to two equivalent Mg(1), two equivalent V(4), and one Zn(4) atom to form distorted OMg2V2Zn trigonal bipyramids that share corners with two equivalent O(7)Mg2V3 square pyramids, corners with two equivalent O(9)V4Zn square pyramids, corners with two equivalent O(8)V2Zn2 tetrahedra,  an edgeedge with one O(7)Mg2V3 square pyramid,  an edgeedge with one O(9)V4Zn square pyramid, edges with two equivalent O(15)Mg2V2Zn trigonal bipyramids, and edges with two equivalent O(6)MgV2Zn2 trigonal bipyramids. In the sixteenth O site, O(16) is bonded to one V(1), two equivalent V(5), and one Zn(2) atom to form distorted OV3Zn trigonal pyramids that share  a cornercorner with one O(9)V4Zn square pyramid,  a cornercorner with one O(13)V2Zn2 tetrahedra, corners with two equivalent O(8)V2Zn2 tetrahedra, corners with two equivalent O(6)MgV2Zn2 trigonal bipyramids, corners with two equivalent O(16)V3Zn trigonal pyramids,  an edgeedge with one O(9)V4Zn square pyramid, and edges with two equivalent O(11)V3Zn tetrahedra. is represented by the CIF card [CIF]
data_MgV8Zn4O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.130
_cell_length_b   10.830
_cell_length_c   10.046
_cell_angle_alpha   95.693
_cell_angle_beta   83.279
_cell_angle_gamma   90.814
_symmetry_Int_Tables_number   1
_cell_volume   336.524
_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  0.895  0.190  0.988  1.0
  V  V1  1  0.640  0.576  0.372  1.0
  V  V2  1  0.799  0.034  0.173  1.0
  V  V3  1  0.066  0.084  0.629  1.0
  V  V4  1  0.842  0.431  0.097  1.0
  V  V5  1  0.057  0.444  0.589  1.0
  V  V6  1  0.651  0.915  0.412  1.0
  V  V7  1  0.428  0.933  0.907  1.0
  V  V8  1  0.504  0.619  0.881  1.0
  Zn  Zn9  1  0.180  0.776  0.172  1.0
  Zn  Zn10  1  0.286  0.307  0.307  1.0
  Zn  Zn11  1  0.045  0.755  0.648  1.0
  Zn  Zn12  1  0.495  0.327  0.787  1.0
  O  O13  1  0.104  0.893  0.540  1.0
  O  O14  1  0.612  0.087  0.519  1.0
  O  O15  1  0.231  0.955  0.281  1.0
  O  O16  1  0.911  0.866  0.024  1.0
  O  O17  1  0.962  0.592  0.987  1.0
  O  O18  1  0.824  0.245  0.205  1.0
  O  O19  1  0.367  0.079  0.041  1.0
  O  O20  1  0.034  0.276  0.679  1.0
  O  O21  1  0.259  0.497  0.241  1.0
  O  O22  1  0.944  0.030  0.813  1.0
  O  O23  1  0.075  0.610  0.508  1.0
  O  O24  1  0.493  0.767  0.779  1.0
  O  O25  1  0.652  0.737  0.291  1.0
  O  O26  1  0.531  0.500  0.721  1.0
  O  O27  1  0.395  0.324  0.977  1.0
  O  O28  1  0.574  0.402  0.460  1.0
[/CIF]
.