The material structure described by MgV12Zn6O24 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(14), one O(15), one O(18), one O(19), and one O(22) atom to form MgO6 octahedra that share corners with three equivalent V(3)O6 octahedra, corners with three equivalent V(7)O6 octahedra,  an edgeedge with one V(11)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(8)O6 octahedra,  an edgeedge with one V(9)O6 octahedra, and edges with two equivalent V(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. 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,  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra,  an edgeedge with one V(5)O6 octahedra,  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,  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra,  an edgeedge with one V(5)O6 octahedra,  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 corners with three equivalent Mg(1)O6 octahedra,  a cornercorner with one Zn(5)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra,  an edgeedge with one V(10)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent V(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. 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 VO6 octahedra that share  a cornercorner with one V(12)O4 tetrahedra,  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra,  an edgeedge with one V(5)O6 octahedra,  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 to one O(11), one O(12), one O(5), one O(6), one O(7), and one O(9) atom to form VO6 octahedra that share corners with three equivalent Zn(2)O4 tetrahedra, corners with three equivalent Zn(5)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and  an edgeedge with one V(8)O6 octahedra. 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(5)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one V(10)O6 octahedra,  an edgeedge with one V(5)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 corners with three equivalent Mg(1)O6 octahedra,  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent V(12)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. The corner-sharing octahedral tilt angles range from 1-5°. 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(5)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one V(10)O6 octahedra,  an edgeedge with one V(5)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, corners with two equivalent V(12)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  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  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,  an edgeedge with one V(9)O6 octahedra, and edges with two equivalent Mg(1)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, corners with two equivalent V(12)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  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 52-62°. 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 54-64°. In the second Zn site, Zn(2) is bonded to one O(12), one O(2), one O(6), and one O(9) atom to form ZnO4 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(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(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-62°. 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 in a 4-coordinate geometry to one O(10), one O(14), one O(18), and one O(20) atom. In the fifth Zn site, Zn(5) is bonded to one O(11), one O(16), one O(5), and one O(7) 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(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and corners with three equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the sixth Zn site, Zn(6) is bonded in a distorted rectangular see-saw-like geometry to one O(13), one O(15), one O(19), and one O(22) atom. 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 V(1), one V(2), one V(4), and one Zn(2) atom to form distorted OV3Zn trigonal pyramids that share corners with two equivalent O(11)V3Zn trigonal pyramids, corners with two equivalent O(7)V3Zn trigonal pyramids, and corners with three equivalent O(8)V4 trigonal pyramids. 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 in a rectangular see-saw-like geometry to one V(2), one V(4), one V(5), and one Zn(5) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one V(3), one V(5), one V(8), and one Zn(2) atom. 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 trigonal pyramids that share  a cornercorner with one O(11)V3Zn trigonal pyramid, corners with two equivalent O(2)V3Zn trigonal pyramids,  an edgeedge with one O(11)V3Zn trigonal pyramid, and  an edgeedge with one O(8)V4 trigonal pyramid. In the eighth O site, O(8) is bonded to one V(1), one V(12), one V(2), and one V(4) atom to form a mixture of distorted edge and corner-sharing OV4 trigonal pyramids. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one V(3), one V(5), one V(6), and one Zn(2) atom. In the tenth O site, O(10) is bonded to one Mg(1), one V(3), one V(6), one V(8), and one Zn(4) atom to form OMgV3Zn square pyramids that share  a cornercorner with one O(15)MgV3Zn square pyramid,  a cornercorner with one O(19)MgV3Zn square pyramid,  a cornercorner with one O(22)MgV3Zn square pyramid,  a cornercorner with one O(20)V3Zn tetrahedra, corners with two equivalent O(13)V3Zn tetrahedra,  an edgeedge with one O(14)MgV3Zn square pyramid,  an edgeedge with one O(15)MgV3Zn square pyramid,  an edgeedge with one O(18)MgV3Zn square pyramid, and  an edgeedge with one O(19)MgV3Zn square pyramid. In the eleventh O site, O(11) is bonded to one V(1), one V(4), one V(5), and one Zn(5) atom to form distorted OV3Zn trigonal pyramids that share  a cornercorner with one O(7)V3Zn trigonal pyramid, corners with two equivalent O(2)V3Zn trigonal pyramids,  an edgeedge with one O(7)V3Zn trigonal pyramid, and  an edgeedge with one O(8)V4 trigonal pyramid. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one V(5), one V(6), one V(8), and one Zn(2) atom. 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 tetrahedra that share  a cornercorner with one O(14)MgV3Zn square pyramid,  a cornercorner with one O(15)MgV3Zn square pyramid,  a cornercorner with one O(18)MgV3Zn square pyramid,  a cornercorner with one O(19)MgV3Zn square pyramid,  a cornercorner with one O(22)MgV3Zn square pyramid, corners with two equivalent O(10)MgV3Zn square pyramids,  a cornercorner with one O(20)V3Zn tetrahedra,  an edgeedge with one O(15)MgV3Zn square pyramid, and  an edgeedge with one O(19)MgV3Zn square pyramid. In the fourteenth O site, O(14) is bonded to one Mg(1), one V(10), one V(7), one V(9), and one Zn(4) atom to form OMgV3Zn square pyramids that share  a cornercorner with one O(22)MgV3Zn square pyramid, corners with two equivalent O(19)MgV3Zn square pyramids,  a cornercorner with one O(13)V3Zn tetrahedra,  a cornercorner with one O(20)V3Zn tetrahedra,  an edgeedge with one O(10)MgV3Zn square pyramid,  an edgeedge with one O(15)MgV3Zn square pyramid,  an edgeedge with one O(22)MgV3Zn square pyramid, edges with two equivalent O(18)MgV3Zn square pyramids, and  an edgeedge with one O(20)V3Zn tetrahedra. In the fifteenth O site, O(15) is bonded to one Mg(1), one V(10), one V(3), one V(6), and one Zn(6) atom to form OMgV3Zn square pyramids that share  a cornercorner with one O(10)MgV3Zn square pyramid, corners with two equivalent O(18)MgV3Zn square pyramids,  a cornercorner with one O(13)V3Zn tetrahedra,  a cornercorner with one O(20)V3Zn tetrahedra,  an edgeedge with one O(10)MgV3Zn square pyramid,  an edgeedge with one O(14)MgV3Zn square pyramid,  an edgeedge with one O(22)MgV3Zn square pyramid, edges with two equivalent O(19)MgV3Zn square pyramids, and  an edgeedge with one O(13)V3Zn tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one V(3), one V(6), one V(8), and one Zn(5) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one V(11), one V(7), one V(9), and one Zn(1) atom. In the eighteenth O site, O(18) is bonded to one Mg(1), one V(10), one V(11), one V(7), and one Zn(4) atom to form OMgV3Zn square pyramids that share  a cornercorner with one O(22)MgV3Zn square pyramid, corners with two equivalent O(15)MgV3Zn square pyramids,  a cornercorner with one O(13)V3Zn tetrahedra,  a cornercorner with one O(20)V3Zn tetrahedra,  an edgeedge with one O(10)MgV3Zn square pyramid,  an edgeedge with one O(19)MgV3Zn square pyramid,  an edgeedge with one O(22)MgV3Zn square pyramid, edges with two equivalent O(14)MgV3Zn square pyramids, and  an edgeedge with one O(20)V3Zn tetrahedra. In the nineteenth O site, O(19) is bonded to one Mg(1), one V(10), one V(3), one V(8), and one Zn(6) atom to form OMgV3Zn square pyramids that share  a cornercorner with one O(10)MgV3Zn square pyramid, corners with two equivalent O(14)MgV3Zn square pyramids,  a cornercorner with one O(13)V3Zn tetrahedra,  a cornercorner with one O(20)V3Zn tetrahedra,  an edgeedge with one O(10)MgV3Zn square pyramid,  an edgeedge with one O(18)MgV3Zn square pyramid,  an edgeedge with one O(22)MgV3Zn square pyramid, edges with two equivalent O(15)MgV3Zn square pyramids, and  an edgeedge with one O(13)V3Zn tetrahedra. In the twentieth O site, O(20) is bonded to one V(10), one V(11), one V(9), and one Zn(4) atom to form OV3Zn tetrahedra that share  a cornercorner with one O(10)MgV3Zn square pyramid,  a cornercorner with one O(14)MgV3Zn square pyramid,  a cornercorner with one O(15)MgV3Zn square pyramid,  a cornercorner with one O(18)MgV3Zn square pyramid,  a cornercorner with one O(19)MgV3Zn square pyramid, corners with two equivalent O(22)MgV3Zn square pyramids,  a cornercorner with one O(13)V3Zn tetrahedra,  an edgeedge with one O(14)MgV3Zn square pyramid, and  an edgeedge with one O(18)MgV3Zn square pyramid. 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 Mg(1), one V(11), one V(7), one V(9), and one Zn(6) atom to form OMgV3Zn square pyramids that share  a cornercorner with one O(10)MgV3Zn square pyramid,  a cornercorner with one O(14)MgV3Zn square pyramid,  a cornercorner with one O(18)MgV3Zn square pyramid,  a cornercorner with one O(13)V3Zn tetrahedra, corners with two equivalent O(20)V3Zn tetrahedra,  an edgeedge with one O(14)MgV3Zn square pyramid,  an edgeedge with one O(15)MgV3Zn square pyramid,  an edgeedge with one O(18)MgV3Zn square pyramid, and  an edgeedge with one O(19)MgV3Zn square pyramid. 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 CIF file [CIF]
data_MgV12Zn6O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.204
_cell_length_b   6.015
_cell_length_c   18.124
_cell_angle_alpha   60.223
_cell_angle_beta   60.239
_cell_angle_gamma   60.654
_symmetry_Int_Tables_number   1
_cell_volume   482.233
_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  0.499  0.004  0.666  1.0
  V  V1  1  0.002  0.498  0.167  1.0
  V  V2  1  0.499  0.498  0.167  1.0
  V  V3  1  0.012  0.489  0.504  1.0
  V  V4  1  0.499  0.003  0.167  1.0
  V  V5  1  0.504  0.500  0.332  1.0
  V  V6  1  0.528  0.494  0.493  1.0
  V  V7  1  0.992  0.503  0.832  1.0
  V  V8  1  0.528  0.000  0.493  1.0
  V  V9  1  0.470  0.001  0.839  1.0
  V  V10  1  0.512  0.504  0.662  1.0
  V  V11  1  0.470  0.514  0.839  1.0
  V  V12  1  0.858  0.879  0.959  1.0
  Zn  Zn13  1  0.108  0.126  0.047  1.0
  Zn  Zn14  1  0.138  0.120  0.374  1.0
  Zn  Zn15  1  0.489  0.501  0.003  1.0
  Zn  Zn16  1  0.028  0.146  0.726  1.0
  Zn  Zn17  1  0.888  0.873  0.289  1.0
  Zn  Zn18  1  0.969  0.835  0.618  1.0
  O  O19  1  0.249  0.249  0.093  1.0
  O  O20  1  0.260  0.259  0.241  1.0
  O  O21  1  0.250  0.722  0.093  1.0
  O  O22  1  0.713  0.254  0.092  1.0
  O  O23  1  0.289  0.734  0.249  1.0
  O  O24  1  0.269  0.257  0.422  1.0
  O  O25  1  0.742  0.281  0.245  1.0
  O  O26  1  0.741  0.742  0.091  1.0
  O  O27  1  0.268  0.709  0.424  1.0
  O  O28  1  0.284  0.240  0.579  1.0
  O  O29  1  0.741  0.738  0.246  1.0
  O  O30  1  0.734  0.261  0.415  1.0
  O  O31  1  0.330  0.739  0.566  1.0
  O  O32  1  0.248  0.266  0.746  1.0
  O  O33  1  0.757  0.249  0.580  1.0
  O  O34  1  0.767  0.731  0.425  1.0
  O  O35  1  0.227  0.285  0.908  1.0
  O  O36  1  0.254  0.755  0.746  1.0
  O  O37  1  0.757  0.756  0.580  1.0
  O  O38  1  0.670  0.278  0.762  1.0
  O  O39  1  0.242  0.744  0.919  1.0
  O  O40  1  0.731  0.750  0.752  1.0
  O  O41  1  0.738  0.276  0.910  1.0
  O  O42  1  0.745  0.745  0.909  1.0
[/CIF]
.
The material structure described by MgV12Zn6O24 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(14), one O(15), one O(18), one O(19), and one O(22) atom to form MgO6 octahedra that share corners with three equivalent V(3)O6 octahedra, corners with three equivalent V(7)O6 octahedra,  an edgeedge with one V(11)O6 octahedra,  an edgeedge with one V(6)O6 octahedra,  an edgeedge with one V(8)O6 octahedra,  an edgeedge with one V(9)O6 octahedra, and edges with two equivalent V(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. 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,  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra,  an edgeedge with one V(5)O6 octahedra,  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,  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra,  an edgeedge with one V(5)O6 octahedra,  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 corners with three equivalent Mg(1)O6 octahedra,  a cornercorner with one Zn(5)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra,  an edgeedge with one V(10)O6 octahedra,  an edgeedge with one V(5)O6 octahedra, edges with two equivalent V(6)O6 octahedra, and edges with two equivalent V(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. 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 VO6 octahedra that share  a cornercorner with one V(12)O4 tetrahedra,  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra,  an edgeedge with one V(5)O6 octahedra,  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 to one O(11), one O(12), one O(5), one O(6), one O(7), and one O(9) atom to form VO6 octahedra that share corners with three equivalent Zn(2)O4 tetrahedra, corners with three equivalent Zn(5)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one V(6)O6 octahedra, and  an edgeedge with one V(8)O6 octahedra. 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(5)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one V(10)O6 octahedra,  an edgeedge with one V(5)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 corners with three equivalent Mg(1)O6 octahedra,  a cornercorner with one Zn(1)O4 tetrahedra, corners with two equivalent V(12)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. The corner-sharing octahedral tilt angles range from 1-5°. 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(5)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one V(10)O6 octahedra,  an edgeedge with one V(5)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, corners with two equivalent V(12)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  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  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,  an edgeedge with one V(9)O6 octahedra, and edges with two equivalent Mg(1)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, corners with two equivalent V(12)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  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 52-62°. 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 54-64°. In the second Zn site, Zn(2) is bonded to one O(12), one O(2), one O(6), and one O(9) atom to form ZnO4 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(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(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-62°. 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 in a 4-coordinate geometry to one O(10), one O(14), one O(18), and one O(20) atom. In the fifth Zn site, Zn(5) is bonded to one O(11), one O(16), one O(5), and one O(7) 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(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, and corners with three equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the sixth Zn site, Zn(6) is bonded in a distorted rectangular see-saw-like geometry to one O(13), one O(15), one O(19), and one O(22) atom. 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 V(1), one V(2), one V(4), and one Zn(2) atom to form distorted OV3Zn trigonal pyramids that share corners with two equivalent O(11)V3Zn trigonal pyramids, corners with two equivalent O(7)V3Zn trigonal pyramids, and corners with three equivalent O(8)V4 trigonal pyramids. 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 in a rectangular see-saw-like geometry to one V(2), one V(4), one V(5), and one Zn(5) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one V(3), one V(5), one V(8), and one Zn(2) atom. 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 trigonal pyramids that share  a cornercorner with one O(11)V3Zn trigonal pyramid, corners with two equivalent O(2)V3Zn trigonal pyramids,  an edgeedge with one O(11)V3Zn trigonal pyramid, and  an edgeedge with one O(8)V4 trigonal pyramid. In the eighth O site, O(8) is bonded to one V(1), one V(12), one V(2), and one V(4) atom to form a mixture of distorted edge and corner-sharing OV4 trigonal pyramids. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one V(3), one V(5), one V(6), and one Zn(2) atom. In the tenth O site, O(10) is bonded to one Mg(1), one V(3), one V(6), one V(8), and one Zn(4) atom to form OMgV3Zn square pyramids that share  a cornercorner with one O(15)MgV3Zn square pyramid,  a cornercorner with one O(19)MgV3Zn square pyramid,  a cornercorner with one O(22)MgV3Zn square pyramid,  a cornercorner with one O(20)V3Zn tetrahedra, corners with two equivalent O(13)V3Zn tetrahedra,  an edgeedge with one O(14)MgV3Zn square pyramid,  an edgeedge with one O(15)MgV3Zn square pyramid,  an edgeedge with one O(18)MgV3Zn square pyramid, and  an edgeedge with one O(19)MgV3Zn square pyramid. In the eleventh O site, O(11) is bonded to one V(1), one V(4), one V(5), and one Zn(5) atom to form distorted OV3Zn trigonal pyramids that share  a cornercorner with one O(7)V3Zn trigonal pyramid, corners with two equivalent O(2)V3Zn trigonal pyramids,  an edgeedge with one O(7)V3Zn trigonal pyramid, and  an edgeedge with one O(8)V4 trigonal pyramid. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one V(5), one V(6), one V(8), and one Zn(2) atom. 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 tetrahedra that share  a cornercorner with one O(14)MgV3Zn square pyramid,  a cornercorner with one O(15)MgV3Zn square pyramid,  a cornercorner with one O(18)MgV3Zn square pyramid,  a cornercorner with one O(19)MgV3Zn square pyramid,  a cornercorner with one O(22)MgV3Zn square pyramid, corners with two equivalent O(10)MgV3Zn square pyramids,  a cornercorner with one O(20)V3Zn tetrahedra,  an edgeedge with one O(15)MgV3Zn square pyramid, and  an edgeedge with one O(19)MgV3Zn square pyramid. In the fourteenth O site, O(14) is bonded to one Mg(1), one V(10), one V(7), one V(9), and one Zn(4) atom to form OMgV3Zn square pyramids that share  a cornercorner with one O(22)MgV3Zn square pyramid, corners with two equivalent O(19)MgV3Zn square pyramids,  a cornercorner with one O(13)V3Zn tetrahedra,  a cornercorner with one O(20)V3Zn tetrahedra,  an edgeedge with one O(10)MgV3Zn square pyramid,  an edgeedge with one O(15)MgV3Zn square pyramid,  an edgeedge with one O(22)MgV3Zn square pyramid, edges with two equivalent O(18)MgV3Zn square pyramids, and  an edgeedge with one O(20)V3Zn tetrahedra. In the fifteenth O site, O(15) is bonded to one Mg(1), one V(10), one V(3), one V(6), and one Zn(6) atom to form OMgV3Zn square pyramids that share  a cornercorner with one O(10)MgV3Zn square pyramid, corners with two equivalent O(18)MgV3Zn square pyramids,  a cornercorner with one O(13)V3Zn tetrahedra,  a cornercorner with one O(20)V3Zn tetrahedra,  an edgeedge with one O(10)MgV3Zn square pyramid,  an edgeedge with one O(14)MgV3Zn square pyramid,  an edgeedge with one O(22)MgV3Zn square pyramid, edges with two equivalent O(19)MgV3Zn square pyramids, and  an edgeedge with one O(13)V3Zn tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one V(3), one V(6), one V(8), and one Zn(5) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one V(11), one V(7), one V(9), and one Zn(1) atom. In the eighteenth O site, O(18) is bonded to one Mg(1), one V(10), one V(11), one V(7), and one Zn(4) atom to form OMgV3Zn square pyramids that share  a cornercorner with one O(22)MgV3Zn square pyramid, corners with two equivalent O(15)MgV3Zn square pyramids,  a cornercorner with one O(13)V3Zn tetrahedra,  a cornercorner with one O(20)V3Zn tetrahedra,  an edgeedge with one O(10)MgV3Zn square pyramid,  an edgeedge with one O(19)MgV3Zn square pyramid,  an edgeedge with one O(22)MgV3Zn square pyramid, edges with two equivalent O(14)MgV3Zn square pyramids, and  an edgeedge with one O(20)V3Zn tetrahedra. In the nineteenth O site, O(19) is bonded to one Mg(1), one V(10), one V(3), one V(8), and one Zn(6) atom to form OMgV3Zn square pyramids that share  a cornercorner with one O(10)MgV3Zn square pyramid, corners with two equivalent O(14)MgV3Zn square pyramids,  a cornercorner with one O(13)V3Zn tetrahedra,  a cornercorner with one O(20)V3Zn tetrahedra,  an edgeedge with one O(10)MgV3Zn square pyramid,  an edgeedge with one O(18)MgV3Zn square pyramid,  an edgeedge with one O(22)MgV3Zn square pyramid, edges with two equivalent O(15)MgV3Zn square pyramids, and  an edgeedge with one O(13)V3Zn tetrahedra. In the twentieth O site, O(20) is bonded to one V(10), one V(11), one V(9), and one Zn(4) atom to form OV3Zn tetrahedra that share  a cornercorner with one O(10)MgV3Zn square pyramid,  a cornercorner with one O(14)MgV3Zn square pyramid,  a cornercorner with one O(15)MgV3Zn square pyramid,  a cornercorner with one O(18)MgV3Zn square pyramid,  a cornercorner with one O(19)MgV3Zn square pyramid, corners with two equivalent O(22)MgV3Zn square pyramids,  a cornercorner with one O(13)V3Zn tetrahedra,  an edgeedge with one O(14)MgV3Zn square pyramid, and  an edgeedge with one O(18)MgV3Zn square pyramid. 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 Mg(1), one V(11), one V(7), one V(9), and one Zn(6) atom to form OMgV3Zn square pyramids that share  a cornercorner with one O(10)MgV3Zn square pyramid,  a cornercorner with one O(14)MgV3Zn square pyramid,  a cornercorner with one O(18)MgV3Zn square pyramid,  a cornercorner with one O(13)V3Zn tetrahedra, corners with two equivalent O(20)V3Zn tetrahedra,  an edgeedge with one O(14)MgV3Zn square pyramid,  an edgeedge with one O(15)MgV3Zn square pyramid,  an edgeedge with one O(18)MgV3Zn square pyramid, and  an edgeedge with one O(19)MgV3Zn square pyramid. 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 CIF file [CIF]
data_MgV12Zn6O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.204
_cell_length_b   6.015
_cell_length_c   18.124
_cell_angle_alpha   60.223
_cell_angle_beta   60.239
_cell_angle_gamma   60.654
_symmetry_Int_Tables_number   1
_cell_volume   482.233
_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  0.499  0.004  0.666  1.0
  V  V1  1  0.002  0.498  0.167  1.0
  V  V2  1  0.499  0.498  0.167  1.0
  V  V3  1  0.012  0.489  0.504  1.0
  V  V4  1  0.499  0.003  0.167  1.0
  V  V5  1  0.504  0.500  0.332  1.0
  V  V6  1  0.528  0.494  0.493  1.0
  V  V7  1  0.992  0.503  0.832  1.0
  V  V8  1  0.528  0.000  0.493  1.0
  V  V9  1  0.470  0.001  0.839  1.0
  V  V10  1  0.512  0.504  0.662  1.0
  V  V11  1  0.470  0.514  0.839  1.0
  V  V12  1  0.858  0.879  0.959  1.0
  Zn  Zn13  1  0.108  0.126  0.047  1.0
  Zn  Zn14  1  0.138  0.120  0.374  1.0
  Zn  Zn15  1  0.489  0.501  0.003  1.0
  Zn  Zn16  1  0.028  0.146  0.726  1.0
  Zn  Zn17  1  0.888  0.873  0.289  1.0
  Zn  Zn18  1  0.969  0.835  0.618  1.0
  O  O19  1  0.249  0.249  0.093  1.0
  O  O20  1  0.260  0.259  0.241  1.0
  O  O21  1  0.250  0.722  0.093  1.0
  O  O22  1  0.713  0.254  0.092  1.0
  O  O23  1  0.289  0.734  0.249  1.0
  O  O24  1  0.269  0.257  0.422  1.0
  O  O25  1  0.742  0.281  0.245  1.0
  O  O26  1  0.741  0.742  0.091  1.0
  O  O27  1  0.268  0.709  0.424  1.0
  O  O28  1  0.284  0.240  0.579  1.0
  O  O29  1  0.741  0.738  0.246  1.0
  O  O30  1  0.734  0.261  0.415  1.0
  O  O31  1  0.330  0.739  0.566  1.0
  O  O32  1  0.248  0.266  0.746  1.0
  O  O33  1  0.757  0.249  0.580  1.0
  O  O34  1  0.767  0.731  0.425  1.0
  O  O35  1  0.227  0.285  0.908  1.0
  O  O36  1  0.254  0.755  0.746  1.0
  O  O37  1  0.757  0.756  0.580  1.0
  O  O38  1  0.670  0.278  0.762  1.0
  O  O39  1  0.242  0.744  0.919  1.0
  O  O40  1  0.731  0.750  0.752  1.0
  O  O41  1  0.738  0.276  0.910  1.0
  O  O42  1  0.745  0.745  0.909  1.0
[/CIF]
.