The crystal structure described by MgV12Zn6O24 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(11), one O(2), one O(5), and one O(9) atom. There are twelve inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(2), one O(3), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one V(12)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Zn(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one V(12)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Zn(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the third V site, V(3) is bonded to one O(10), one O(15), one O(16), one O(19), one O(6), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra,  an edgeedge with one V(10)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent V(8)O6 octahedra. In the fourth V site, V(4) is bonded to one O(1), one O(11), one O(2), one O(4), one O(5), and one O(8) atom to form distorted VO6 octahedra that share  a cornercorner with one V(12)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Zn(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. In the fifth V site, V(5) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(5), one O(6), and one O(7) atom. In the sixth V site, V(6) is bonded to one O(10), one O(12), one O(13), one O(15), one O(16), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra,  an edgeedge with one V(10)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(8)O6 octahedra. In the seventh V site, V(7) is bonded to one O(14), one O(17), one O(18), one O(22), one O(23), and one O(24) atom to form VO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra, corners with two equivalent V(12)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one V(10)O6 octahedra,  an edgeedge with one Zn(3)O6 octahedra, edges with two equivalent V(11)O6 octahedra, and edges with two equivalent V(9)O6 octahedra. In the eighth V site, V(8) is bonded to one O(10), one O(12), one O(13), one O(16), one O(19), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra,  an edgeedge with one V(10)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the ninth V site, V(9) is bonded to one O(14), one O(17), one O(20), one O(21), one O(22), and one O(24) atom to form VO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra, corners with two equivalent V(12)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one V(10)O6 octahedra,  an edgeedge with one Zn(3)O6 octahedra, edges with two equivalent V(11)O6 octahedra, and edges with two equivalent V(7)O6 octahedra. In the tenth V site, V(10) is bonded to one O(13), one O(14), one O(15), one O(18), one O(19), and one O(20) atom to form VO6 octahedra that share corners with three equivalent Zn(4)O4 tetrahedra, corners with three equivalent Zn(6)O4 tetrahedra,  an edgeedge with one V(11)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(7)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, and  an edgeedge with one V(9)O6 octahedra. In the eleventh V site, V(11) is bonded to one O(17), one O(18), one O(20), one O(21), one O(22), and one O(23) atom to form VO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra, corners with two equivalent V(12)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one V(10)O6 octahedra,  an edgeedge with one Zn(3)O6 octahedra, edges with two equivalent V(7)O6 octahedra, and edges with two equivalent V(9)O6 octahedra. In the twelfth V site, V(12) is bonded to one O(21), one O(23), one O(24), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent V(11)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with two equivalent V(9)O6 octahedra, and corners with three equivalent Zn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(17), one O(3), and one O(4) atom to form ZnO4 tetrahedra that share  a cornercorner with one V(11)O6 octahedra,  a cornercorner with one V(7)O6 octahedra,  a cornercorner with one V(9)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and corners with three equivalent Zn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-64°. In the second Zn site, Zn(2) is bonded in a trigonal planar geometry to one O(12), one O(6), and one O(9) atom. In the third Zn site, Zn(3) is bonded to one O(1), one O(21), one O(23), one O(24), one O(3), and one O(4) atom to form ZnO6 octahedra that share corners with three equivalent V(12)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(11)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, and  an edgeedge with one V(9)O6 octahedra. In the fourth Zn site, Zn(4) is bonded to one O(10), one O(14), one O(18), and one O(20) atom to form ZnO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one V(8)O6 octahedra, corners with two equivalent V(11)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with two equivalent V(9)O6 octahedra, and corners with three equivalent V(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the fifth Zn site, Zn(5) is bonded in a trigonal planar geometry to one O(11), one O(5), and one O(7) atom. In the sixth Zn site, Zn(6) is bonded to one O(13), one O(15), one O(19), and one O(22) atom to form ZnO4 tetrahedra that share  a cornercorner with one V(11)O6 octahedra,  a cornercorner with one V(7)O6 octahedra,  a cornercorner with one V(9)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with two equivalent V(8)O6 octahedra, and corners with three equivalent V(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), one V(4), one Zn(1), and one Zn(3) atom. In the second O site, O(2) is bonded to one Mg(1), one V(1), one V(2), and one V(4) atom to form OMgV3 trigonal pyramids that share  a cornercorner with one O(9)MgV2Zn tetrahedra, corners with two equivalent O(7)V3Zn tetrahedra,  a cornercorner with one O(11)MgV3Zn trigonal bipyramid,  a cornercorner with one O(5)MgV3Zn trigonal bipyramid,  an edgeedge with one O(11)MgV3Zn trigonal bipyramid, and  an edgeedge with one O(5)MgV3Zn trigonal bipyramid. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one Zn(1), and one Zn(3) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one V(2), one V(4), one Zn(1), and one Zn(3) atom. In the fifth O site, O(5) is bonded to one Mg(1), one V(2), one V(4), one V(5), and one Zn(5) atom to form distorted OMgV3Zn trigonal bipyramids that share  a cornercorner with one O(9)MgV2Zn tetrahedra,  a cornercorner with one O(7)V3Zn tetrahedra,  a cornercorner with one O(11)MgV3Zn trigonal bipyramid,  a cornercorner with one O(2)MgV3 trigonal pyramid,  a cornercorner with one O(12)V3Zn trigonal pyramid,  a cornercorner with one O(6)V3Zn trigonal pyramid,  an edgeedge with one O(7)V3Zn tetrahedra,  an edgeedge with one O(2)MgV3 trigonal pyramid, and  a faceface with one O(11)MgV3Zn trigonal bipyramid. In the sixth O site, O(6) is bonded to one V(3), one V(5), one V(8), and one Zn(2) atom to form distorted OV3Zn trigonal pyramids that share  a cornercorner with one O(7)V3Zn tetrahedra, corners with two equivalent O(9)MgV2Zn tetrahedra,  a cornercorner with one O(11)MgV3Zn trigonal bipyramid,  a cornercorner with one O(5)MgV3Zn trigonal bipyramid,  a cornercorner with one O(12)V3Zn trigonal pyramid,  a cornercorner with one O(13)V3Zn trigonal pyramid, corners with two equivalent O(19)V3Zn trigonal pyramids, and  an edgeedge with one O(12)V3Zn trigonal pyramid. In the seventh O site, O(7) is bonded to one V(1), one V(2), one V(5), and one Zn(5) atom to form distorted OV3Zn tetrahedra that share  a cornercorner with one O(11)MgV3Zn trigonal bipyramid,  a cornercorner with one O(5)MgV3Zn trigonal bipyramid,  a cornercorner with one O(12)V3Zn trigonal pyramid,  a cornercorner with one O(6)V3Zn trigonal pyramid, corners with two equivalent O(2)MgV3 trigonal pyramids,  an edgeedge with one O(11)MgV3Zn trigonal bipyramid, and  an edgeedge with one O(5)MgV3Zn trigonal bipyramid. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one V(1), one V(12), one V(2), and one V(4) atom. In the ninth O site, O(9) is bonded to one Mg(1), one V(3), one V(6), and one Zn(2) atom to form distorted OMgV2Zn tetrahedra that share  a cornercorner with one O(11)MgV3Zn trigonal bipyramid,  a cornercorner with one O(5)MgV3Zn trigonal bipyramid,  a cornercorner with one O(2)MgV3 trigonal pyramid,  a cornercorner with one O(13)V3Zn trigonal pyramid,  a cornercorner with one O(19)V3Zn trigonal pyramid, corners with two equivalent O(12)V3Zn trigonal pyramids, and corners with two equivalent O(6)V3Zn trigonal pyramids. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one V(3), one V(6), one V(8), and one Zn(4) atom. In the eleventh O site, O(11) is bonded to one Mg(1), one V(1), one V(4), one V(5), and one Zn(5) atom to form distorted OMgV3Zn trigonal bipyramids that share  a cornercorner with one O(9)MgV2Zn tetrahedra,  a cornercorner with one O(7)V3Zn tetrahedra,  a cornercorner with one O(5)MgV3Zn trigonal bipyramid,  a cornercorner with one O(2)MgV3 trigonal pyramid,  a cornercorner with one O(12)V3Zn trigonal pyramid,  a cornercorner with one O(6)V3Zn trigonal pyramid,  an edgeedge with one O(7)V3Zn tetrahedra,  an edgeedge with one O(2)MgV3 trigonal pyramid, and  a faceface with one O(5)MgV3Zn trigonal bipyramid. In the twelfth O site, O(12) is bonded to one V(5), one V(6), one V(8), and one Zn(2) atom to form distorted OV3Zn trigonal pyramids that share  a cornercorner with one O(7)V3Zn tetrahedra, corners with two equivalent O(9)MgV2Zn tetrahedra,  a cornercorner with one O(11)MgV3Zn trigonal bipyramid,  a cornercorner with one O(5)MgV3Zn trigonal bipyramid,  a cornercorner with one O(19)V3Zn trigonal pyramid,  a cornercorner with one O(6)V3Zn trigonal pyramid, corners with two equivalent O(13)V3Zn trigonal pyramids, and  an edgeedge with one O(6)V3Zn trigonal pyramid. In the thirteenth O site, O(13) is bonded to one V(10), one V(6), one V(8), and one Zn(6) atom to form distorted OV3Zn trigonal pyramids that share  a cornercorner with one O(9)MgV2Zn tetrahedra,  a cornercorner with one O(19)V3Zn trigonal pyramid,  a cornercorner with one O(22)V3Zn trigonal pyramid,  a cornercorner with one O(6)V3Zn trigonal pyramid, corners with two equivalent O(12)V3Zn trigonal pyramids, and  an edgeedge with one O(19)V3Zn trigonal pyramid. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one V(10), one V(7), one V(9), and one Zn(4) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one V(10), one V(3), one V(6), and one Zn(6) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one V(3), one V(6), and one V(8) atom. In the seventeenth O site, O(17) is bonded to one V(11), one V(7), one V(9), and one Zn(1) atom to form distorted corner-sharing OV3Zn trigonal pyramids. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one V(10), one V(11), one V(7), and one Zn(4) atom. In the nineteenth O site, O(19) is bonded to one V(10), one V(3), one V(8), and one Zn(6) atom to form distorted OV3Zn trigonal pyramids that share  a cornercorner with one O(9)MgV2Zn tetrahedra,  a cornercorner with one O(12)V3Zn trigonal pyramid,  a cornercorner with one O(13)V3Zn trigonal pyramid,  a cornercorner with one O(22)V3Zn trigonal pyramid, corners with two equivalent O(6)V3Zn trigonal pyramids, and  an edgeedge with one O(13)V3Zn trigonal pyramid. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one V(10), one V(11), one V(9), and one Zn(4) atom. In the twenty-first O site, O(21) is bonded in a rectangular see-saw-like geometry to one V(11), one V(12), one V(9), and one Zn(3) atom. In the twenty-second O site, O(22) is bonded to one V(11), one V(7), one V(9), and one Zn(6) atom to form distorted corner-sharing OV3Zn trigonal pyramids. In the twenty-third O site, O(23) is bonded in a rectangular see-saw-like geometry to one V(11), one V(12), one V(7), and one Zn(3) atom. In the twenty-fourth O site, O(24) is bonded in a rectangular see-saw-like geometry to one V(12), one V(7), one V(9), and one Zn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV12Zn6O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.153
_cell_length_b   6.072
_cell_length_c   18.766
_cell_angle_alpha   60.422
_cell_angle_beta   60.494
_cell_angle_gamma   59.729
_symmetry_Int_Tables_number   1
_cell_volume   498.117
_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  0.340  0.908  0.306  1.0
  V  V1  1  0.022  0.491  0.155  1.0
  V  V2  1  0.524  0.491  0.155  1.0
  V  V3  1  0.979  0.516  0.508  1.0
  V  V4  1  0.536  0.001  0.143  1.0
  V  V5  1  0.554  0.392  0.333  1.0
  V  V6  1  0.477  0.517  0.508  1.0
  V  V7  1  0.001  0.503  0.833  1.0
  V  V8  1  0.476  0.005  0.513  1.0
  V  V9  1  0.498  0.006  0.832  1.0
  V  V10  1  0.493  0.498  0.671  1.0
  V  V11  1  0.501  0.499  0.833  1.0
  V  V12  1  0.886  0.876  0.951  1.0
  Zn  Zn13  1  0.130  0.134  0.035  1.0
  Zn  Zn14  1  0.024  0.105  0.448  1.0
  Zn  Zn15  1  0.497  0.518  0.996  1.0
  Zn  Zn16  1  0.118  0.130  0.711  1.0
  Zn  Zn17  1  0.951  0.863  0.246  1.0
  Zn  Zn18  1  0.857  0.875  0.636  1.0
  O  O19  1  0.266  0.274  0.075  1.0
  O  O20  1  0.285  0.263  0.223  1.0
  O  O21  1  0.253  0.734  0.087  1.0
  O  O22  1  0.737  0.275  0.074  1.0
  O  O23  1  0.314  0.717  0.244  1.0
  O  O24  1  0.240  0.266  0.436  1.0
  O  O25  1  0.781  0.250  0.229  1.0
  O  O26  1  0.774  0.722  0.077  1.0
  O  O27  1  0.226  0.754  0.431  1.0
  O  O28  1  0.237  0.283  0.580  1.0
  O  O29  1  0.740  0.717  0.244  1.0
  O  O30  1  0.684  0.266  0.436  1.0
  O  O31  1  0.263  0.745  0.589  1.0
  O  O32  1  0.253  0.273  0.753  1.0
  O  O33  1  0.731  0.280  0.584  1.0
  O  O34  1  0.711  0.740  0.445  1.0
  O  O35  1  0.265  0.263  0.902  1.0
  O  O36  1  0.262  0.721  0.756  1.0
  O  O37  1  0.722  0.744  0.589  1.0
  O  O38  1  0.714  0.259  0.753  1.0
  O  O39  1  0.278  0.760  0.905  1.0
  O  O40  1  0.734  0.741  0.764  1.0
  O  O41  1  0.754  0.272  0.903  1.0
  O  O42  1  0.758  0.751  0.905  1.0
[/CIF]
.
The crystal structure described by MgV12Zn6O24 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(11), one O(2), one O(5), and one O(9) atom. There are twelve inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(2), one O(3), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one V(12)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Zn(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one V(12)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Zn(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the third V site, V(3) is bonded to one O(10), one O(15), one O(16), one O(19), one O(6), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra,  an edgeedge with one V(10)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent V(8)O6 octahedra. In the fourth V site, V(4) is bonded to one O(1), one O(11), one O(2), one O(4), one O(5), and one O(8) atom to form distorted VO6 octahedra that share  a cornercorner with one V(12)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Zn(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. In the fifth V site, V(5) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(5), one O(6), and one O(7) atom. In the sixth V site, V(6) is bonded to one O(10), one O(12), one O(13), one O(15), one O(16), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra,  an edgeedge with one V(10)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(8)O6 octahedra. In the seventh V site, V(7) is bonded to one O(14), one O(17), one O(18), one O(22), one O(23), and one O(24) atom to form VO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra, corners with two equivalent V(12)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one V(10)O6 octahedra,  an edgeedge with one Zn(3)O6 octahedra, edges with two equivalent V(11)O6 octahedra, and edges with two equivalent V(9)O6 octahedra. In the eighth V site, V(8) is bonded to one O(10), one O(12), one O(13), one O(16), one O(19), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra,  an edgeedge with one V(10)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. In the ninth V site, V(9) is bonded to one O(14), one O(17), one O(20), one O(21), one O(22), and one O(24) atom to form VO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra, corners with two equivalent V(12)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one V(10)O6 octahedra,  an edgeedge with one Zn(3)O6 octahedra, edges with two equivalent V(11)O6 octahedra, and edges with two equivalent V(7)O6 octahedra. In the tenth V site, V(10) is bonded to one O(13), one O(14), one O(15), one O(18), one O(19), and one O(20) atom to form VO6 octahedra that share corners with three equivalent Zn(4)O4 tetrahedra, corners with three equivalent Zn(6)O4 tetrahedra,  an edgeedge with one V(11)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(7)O6 octahedra,  an edgeedge with one V(8)O6 octahedra, and  an edgeedge with one V(9)O6 octahedra. In the eleventh V site, V(11) is bonded to one O(17), one O(18), one O(20), one O(21), one O(22), and one O(23) atom to form VO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra, corners with two equivalent V(12)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one V(10)O6 octahedra,  an edgeedge with one Zn(3)O6 octahedra, edges with two equivalent V(7)O6 octahedra, and edges with two equivalent V(9)O6 octahedra. In the twelfth V site, V(12) is bonded to one O(21), one O(23), one O(24), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent V(11)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with two equivalent V(9)O6 octahedra, and corners with three equivalent Zn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(17), one O(3), and one O(4) atom to form ZnO4 tetrahedra that share  a cornercorner with one V(11)O6 octahedra,  a cornercorner with one V(7)O6 octahedra,  a cornercorner with one V(9)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and corners with three equivalent Zn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-64°. In the second Zn site, Zn(2) is bonded in a trigonal planar geometry to one O(12), one O(6), and one O(9) atom. In the third Zn site, Zn(3) is bonded to one O(1), one O(21), one O(23), one O(24), one O(3), and one O(4) atom to form ZnO6 octahedra that share corners with three equivalent V(12)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(11)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(7)O6 octahedra, and  an edgeedge with one V(9)O6 octahedra. In the fourth Zn site, Zn(4) is bonded to one O(10), one O(14), one O(18), and one O(20) atom to form ZnO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(6)O6 octahedra,  a cornercorner with one V(8)O6 octahedra, corners with two equivalent V(11)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with two equivalent V(9)O6 octahedra, and corners with three equivalent V(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the fifth Zn site, Zn(5) is bonded in a trigonal planar geometry to one O(11), one O(5), and one O(7) atom. In the sixth Zn site, Zn(6) is bonded to one O(13), one O(15), one O(19), and one O(22) atom to form ZnO4 tetrahedra that share  a cornercorner with one V(11)O6 octahedra,  a cornercorner with one V(7)O6 octahedra,  a cornercorner with one V(9)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(6)O6 octahedra, corners with two equivalent V(8)O6 octahedra, and corners with three equivalent V(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), one V(4), one Zn(1), and one Zn(3) atom. In the second O site, O(2) is bonded to one Mg(1), one V(1), one V(2), and one V(4) atom to form OMgV3 trigonal pyramids that share  a cornercorner with one O(9)MgV2Zn tetrahedra, corners with two equivalent O(7)V3Zn tetrahedra,  a cornercorner with one O(11)MgV3Zn trigonal bipyramid,  a cornercorner with one O(5)MgV3Zn trigonal bipyramid,  an edgeedge with one O(11)MgV3Zn trigonal bipyramid, and  an edgeedge with one O(5)MgV3Zn trigonal bipyramid. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one Zn(1), and one Zn(3) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one V(2), one V(4), one Zn(1), and one Zn(3) atom. In the fifth O site, O(5) is bonded to one Mg(1), one V(2), one V(4), one V(5), and one Zn(5) atom to form distorted OMgV3Zn trigonal bipyramids that share  a cornercorner with one O(9)MgV2Zn tetrahedra,  a cornercorner with one O(7)V3Zn tetrahedra,  a cornercorner with one O(11)MgV3Zn trigonal bipyramid,  a cornercorner with one O(2)MgV3 trigonal pyramid,  a cornercorner with one O(12)V3Zn trigonal pyramid,  a cornercorner with one O(6)V3Zn trigonal pyramid,  an edgeedge with one O(7)V3Zn tetrahedra,  an edgeedge with one O(2)MgV3 trigonal pyramid, and  a faceface with one O(11)MgV3Zn trigonal bipyramid. In the sixth O site, O(6) is bonded to one V(3), one V(5), one V(8), and one Zn(2) atom to form distorted OV3Zn trigonal pyramids that share  a cornercorner with one O(7)V3Zn tetrahedra, corners with two equivalent O(9)MgV2Zn tetrahedra,  a cornercorner with one O(11)MgV3Zn trigonal bipyramid,  a cornercorner with one O(5)MgV3Zn trigonal bipyramid,  a cornercorner with one O(12)V3Zn trigonal pyramid,  a cornercorner with one O(13)V3Zn trigonal pyramid, corners with two equivalent O(19)V3Zn trigonal pyramids, and  an edgeedge with one O(12)V3Zn trigonal pyramid. In the seventh O site, O(7) is bonded to one V(1), one V(2), one V(5), and one Zn(5) atom to form distorted OV3Zn tetrahedra that share  a cornercorner with one O(11)MgV3Zn trigonal bipyramid,  a cornercorner with one O(5)MgV3Zn trigonal bipyramid,  a cornercorner with one O(12)V3Zn trigonal pyramid,  a cornercorner with one O(6)V3Zn trigonal pyramid, corners with two equivalent O(2)MgV3 trigonal pyramids,  an edgeedge with one O(11)MgV3Zn trigonal bipyramid, and  an edgeedge with one O(5)MgV3Zn trigonal bipyramid. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one V(1), one V(12), one V(2), and one V(4) atom. In the ninth O site, O(9) is bonded to one Mg(1), one V(3), one V(6), and one Zn(2) atom to form distorted OMgV2Zn tetrahedra that share  a cornercorner with one O(11)MgV3Zn trigonal bipyramid,  a cornercorner with one O(5)MgV3Zn trigonal bipyramid,  a cornercorner with one O(2)MgV3 trigonal pyramid,  a cornercorner with one O(13)V3Zn trigonal pyramid,  a cornercorner with one O(19)V3Zn trigonal pyramid, corners with two equivalent O(12)V3Zn trigonal pyramids, and corners with two equivalent O(6)V3Zn trigonal pyramids. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one V(3), one V(6), one V(8), and one Zn(4) atom. In the eleventh O site, O(11) is bonded to one Mg(1), one V(1), one V(4), one V(5), and one Zn(5) atom to form distorted OMgV3Zn trigonal bipyramids that share  a cornercorner with one O(9)MgV2Zn tetrahedra,  a cornercorner with one O(7)V3Zn tetrahedra,  a cornercorner with one O(5)MgV3Zn trigonal bipyramid,  a cornercorner with one O(2)MgV3 trigonal pyramid,  a cornercorner with one O(12)V3Zn trigonal pyramid,  a cornercorner with one O(6)V3Zn trigonal pyramid,  an edgeedge with one O(7)V3Zn tetrahedra,  an edgeedge with one O(2)MgV3 trigonal pyramid, and  a faceface with one O(5)MgV3Zn trigonal bipyramid. In the twelfth O site, O(12) is bonded to one V(5), one V(6), one V(8), and one Zn(2) atom to form distorted OV3Zn trigonal pyramids that share  a cornercorner with one O(7)V3Zn tetrahedra, corners with two equivalent O(9)MgV2Zn tetrahedra,  a cornercorner with one O(11)MgV3Zn trigonal bipyramid,  a cornercorner with one O(5)MgV3Zn trigonal bipyramid,  a cornercorner with one O(19)V3Zn trigonal pyramid,  a cornercorner with one O(6)V3Zn trigonal pyramid, corners with two equivalent O(13)V3Zn trigonal pyramids, and  an edgeedge with one O(6)V3Zn trigonal pyramid. In the thirteenth O site, O(13) is bonded to one V(10), one V(6), one V(8), and one Zn(6) atom to form distorted OV3Zn trigonal pyramids that share  a cornercorner with one O(9)MgV2Zn tetrahedra,  a cornercorner with one O(19)V3Zn trigonal pyramid,  a cornercorner with one O(22)V3Zn trigonal pyramid,  a cornercorner with one O(6)V3Zn trigonal pyramid, corners with two equivalent O(12)V3Zn trigonal pyramids, and  an edgeedge with one O(19)V3Zn trigonal pyramid. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one V(10), one V(7), one V(9), and one Zn(4) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one V(10), one V(3), one V(6), and one Zn(6) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal non-coplanar geometry to one V(3), one V(6), and one V(8) atom. In the seventeenth O site, O(17) is bonded to one V(11), one V(7), one V(9), and one Zn(1) atom to form distorted corner-sharing OV3Zn trigonal pyramids. In the eighteenth O site, O(18) is bonded in a rectangular see-saw-like geometry to one V(10), one V(11), one V(7), and one Zn(4) atom. In the nineteenth O site, O(19) is bonded to one V(10), one V(3), one V(8), and one Zn(6) atom to form distorted OV3Zn trigonal pyramids that share  a cornercorner with one O(9)MgV2Zn tetrahedra,  a cornercorner with one O(12)V3Zn trigonal pyramid,  a cornercorner with one O(13)V3Zn trigonal pyramid,  a cornercorner with one O(22)V3Zn trigonal pyramid, corners with two equivalent O(6)V3Zn trigonal pyramids, and  an edgeedge with one O(13)V3Zn trigonal pyramid. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one V(10), one V(11), one V(9), and one Zn(4) atom. In the twenty-first O site, O(21) is bonded in a rectangular see-saw-like geometry to one V(11), one V(12), one V(9), and one Zn(3) atom. In the twenty-second O site, O(22) is bonded to one V(11), one V(7), one V(9), and one Zn(6) atom to form distorted corner-sharing OV3Zn trigonal pyramids. In the twenty-third O site, O(23) is bonded in a rectangular see-saw-like geometry to one V(11), one V(12), one V(7), and one Zn(3) atom. In the twenty-fourth O site, O(24) is bonded in a rectangular see-saw-like geometry to one V(12), one V(7), one V(9), and one Zn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV12Zn6O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.153
_cell_length_b   6.072
_cell_length_c   18.766
_cell_angle_alpha   60.422
_cell_angle_beta   60.494
_cell_angle_gamma   59.729
_symmetry_Int_Tables_number   1
_cell_volume   498.117
_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  0.340  0.908  0.306  1.0
  V  V1  1  0.022  0.491  0.155  1.0
  V  V2  1  0.524  0.491  0.155  1.0
  V  V3  1  0.979  0.516  0.508  1.0
  V  V4  1  0.536  0.001  0.143  1.0
  V  V5  1  0.554  0.392  0.333  1.0
  V  V6  1  0.477  0.517  0.508  1.0
  V  V7  1  0.001  0.503  0.833  1.0
  V  V8  1  0.476  0.005  0.513  1.0
  V  V9  1  0.498  0.006  0.832  1.0
  V  V10  1  0.493  0.498  0.671  1.0
  V  V11  1  0.501  0.499  0.833  1.0
  V  V12  1  0.886  0.876  0.951  1.0
  Zn  Zn13  1  0.130  0.134  0.035  1.0
  Zn  Zn14  1  0.024  0.105  0.448  1.0
  Zn  Zn15  1  0.497  0.518  0.996  1.0
  Zn  Zn16  1  0.118  0.130  0.711  1.0
  Zn  Zn17  1  0.951  0.863  0.246  1.0
  Zn  Zn18  1  0.857  0.875  0.636  1.0
  O  O19  1  0.266  0.274  0.075  1.0
  O  O20  1  0.285  0.263  0.223  1.0
  O  O21  1  0.253  0.734  0.087  1.0
  O  O22  1  0.737  0.275  0.074  1.0
  O  O23  1  0.314  0.717  0.244  1.0
  O  O24  1  0.240  0.266  0.436  1.0
  O  O25  1  0.781  0.250  0.229  1.0
  O  O26  1  0.774  0.722  0.077  1.0
  O  O27  1  0.226  0.754  0.431  1.0
  O  O28  1  0.237  0.283  0.580  1.0
  O  O29  1  0.740  0.717  0.244  1.0
  O  O30  1  0.684  0.266  0.436  1.0
  O  O31  1  0.263  0.745  0.589  1.0
  O  O32  1  0.253  0.273  0.753  1.0
  O  O33  1  0.731  0.280  0.584  1.0
  O  O34  1  0.711  0.740  0.445  1.0
  O  O35  1  0.265  0.263  0.902  1.0
  O  O36  1  0.262  0.721  0.756  1.0
  O  O37  1  0.722  0.744  0.589  1.0
  O  O38  1  0.714  0.259  0.753  1.0
  O  O39  1  0.278  0.760  0.905  1.0
  O  O40  1  0.734  0.741  0.764  1.0
  O  O41  1  0.754  0.272  0.903  1.0
  O  O42  1  0.758  0.751  0.905  1.0
[/CIF]
.