The crystal structure described by MgV12Zn6O24 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(11), one O(12), one O(16), one O(2), one O(5), and one O(6) atom to form distorted MgO6 octahedra that share corners with three equivalent V(4)O6 octahedra, corners with three equivalent V(8)O6 octahedra,  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(6)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-15°. 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 Mg(1)O6 octahedra,  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, corners with two equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  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  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Zn(6)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(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 VO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra,  a cornercorner with one V(12)O4 tetrahedra, corners with two equivalent Zn(1)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. The corner-sharing octahedral tilt angles range from 2-15°. 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  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,  an edgeedge with one V(8)O6 octahedra, and edges with two equivalent Mg(1)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(4)O4 tetrahedra, corners with two equivalent Zn(6)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  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 corners with three equivalent Mg(1)O6 octahedra,  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra,  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. The corner-sharing octahedral tilt angles range from 7-9°. 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 52-60°. 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 52-60°. In the second Zn site, Zn(2) is bonded in a distorted 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 54-61°. In the fifth Zn site, Zn(5) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(16), 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 54-62°. 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 in a rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one V(4) atom. 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 OMgV3Zn square pyramids that share  a cornercorner with one O(7)V3Zn tetrahedra,  a cornercorner with one O(9)V3Zn tetrahedra, corners with two equivalent O(12)MgV3Zn trigonal bipyramids, edges with two equivalent O(11)MgV3Zn square pyramids,  an edgeedge with one O(7)V3Zn tetrahedra,  an edgeedge with one O(16)MgV3Zn trigonal bipyramid, and  an edgeedge with one O(6)MgV3Zn trigonal bipyramid. In the sixth O site, O(6) is bonded to one Mg(1), one V(3), one V(5), one V(8), and one Zn(2) atom to form OMgV3Zn trigonal bipyramids that share corners with two equivalent O(11)MgV3Zn square pyramids,  a cornercorner with one O(7)V3Zn tetrahedra,  a cornercorner with one O(9)V3Zn tetrahedra,  a cornercorner with one O(16)MgV3Zn trigonal bipyramid,  an edgeedge with one O(5)MgV3Zn square pyramid,  an edgeedge with one O(9)V3Zn tetrahedra,  an edgeedge with one O(16)MgV3Zn trigonal bipyramid, and edges with two equivalent O(12)MgV3Zn trigonal bipyramids. 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 square pyramid,  a cornercorner with one O(5)MgV3Zn square pyramid,  a cornercorner with one O(9)V3Zn tetrahedra,  a cornercorner with one O(12)MgV3Zn trigonal bipyramid,  a cornercorner with one O(16)MgV3Zn trigonal bipyramid,  a cornercorner with one O(6)MgV3Zn trigonal bipyramid,  an edgeedge with one O(11)MgV3Zn square pyramid, and  an edgeedge with one O(5)MgV3Zn square pyramid. 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 V(3), one V(5), one V(6), and one Zn(2) atom to form OV3Zn tetrahedra that share  a cornercorner with one O(11)MgV3Zn square pyramid,  a cornercorner with one O(5)MgV3Zn square pyramid,  a cornercorner with one O(7)V3Zn tetrahedra,  a cornercorner with one O(12)MgV3Zn trigonal bipyramid,  a cornercorner with one O(6)MgV3Zn trigonal bipyramid, corners with two equivalent O(16)MgV3Zn trigonal bipyramids,  an edgeedge with one O(12)MgV3Zn trigonal bipyramid, and  an edgeedge with one O(6)MgV3Zn trigonal bipyramid. 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 OMgV3Zn square pyramids that share  a cornercorner with one O(7)V3Zn tetrahedra,  a cornercorner with one O(9)V3Zn tetrahedra, corners with two equivalent O(6)MgV3Zn trigonal bipyramids, edges with two equivalent O(5)MgV3Zn square pyramids,  an edgeedge with one O(7)V3Zn tetrahedra,  an edgeedge with one O(12)MgV3Zn trigonal bipyramid, and  an edgeedge with one O(16)MgV3Zn trigonal bipyramid. In the twelfth O site, O(12) is bonded to one Mg(1), one V(5), one V(6), one V(8), and one Zn(2) atom to form OMgV3Zn trigonal bipyramids that share corners with two equivalent O(5)MgV3Zn square pyramids,  a cornercorner with one O(7)V3Zn tetrahedra,  a cornercorner with one O(9)V3Zn tetrahedra,  a cornercorner with one O(16)MgV3Zn trigonal bipyramid,  an edgeedge with one O(11)MgV3Zn square pyramid,  an edgeedge with one O(9)V3Zn tetrahedra,  an edgeedge with one O(16)MgV3Zn trigonal bipyramid, and edges with two equivalent O(6)MgV3Zn trigonal bipyramids. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one V(10), one V(6), one V(8), and one Zn(6) atom. 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 distorted 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 to one Mg(1), one V(3), one V(6), one V(8), and one Zn(5) atom to form OMgV3Zn trigonal bipyramids that share  a cornercorner with one O(7)V3Zn tetrahedra, corners with two equivalent O(9)V3Zn tetrahedra,  a cornercorner with one O(12)MgV3Zn trigonal bipyramid,  a cornercorner with one O(6)MgV3Zn trigonal bipyramid,  an edgeedge with one O(11)MgV3Zn square pyramid,  an edgeedge with one O(5)MgV3Zn square pyramid,  an edgeedge with one O(12)MgV3Zn trigonal bipyramid, and  an edgeedge with one O(6)MgV3Zn trigonal bipyramid. 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 a mixture of distorted corner and edge-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 in a rectangular see-saw-like geometry to one V(10), one V(3), one V(8), and one Zn(6) atom. 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 a mixture of distorted corner and edge-sharing OV3Zn trigonal pyramids. 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 tetrahedra. 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   6.057
_cell_length_b   6.153
_cell_length_c   18.261
_cell_angle_alpha   60.543
_cell_angle_beta   60.010
_cell_angle_gamma   60.842
_symmetry_Int_Tables_number   1
_cell_volume   486.194
_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  0.015  0.483  0.329  1.0
  V  V1  1  0.000  0.536  0.158  1.0
  V  V2  1  0.491  0.536  0.158  1.0
  V  V3  1  0.008  0.461  0.506  1.0
  V  V4  1  0.484  0.025  0.169  1.0
  V  V5  1  0.497  0.516  0.328  1.0
  V  V6  1  0.508  0.462  0.506  1.0
  V  V7  1  0.005  0.503  0.833  1.0
  V  V8  1  0.515  0.975  0.497  1.0
  V  V9  1  0.499  0.004  0.834  1.0
  V  V10  1  0.507  0.490  0.666  1.0
  V  V11  1  0.499  0.501  0.833  1.0
  V  V12  1  0.874  0.892  0.955  1.0
  Zn  Zn13  1  0.114  0.142  0.044  1.0
  Zn  Zn14  1  0.090  0.010  0.432  1.0
  Zn  Zn15  1  0.501  0.505  0.999  1.0
  Zn  Zn16  1  0.131  0.115  0.709  1.0
  Zn  Zn17  1  0.838  0.967  0.284  1.0
  Zn  Zn18  1  0.881  0.848  0.630  1.0
  O  O19  1  0.249  0.272  0.090  1.0
  O  O20  1  0.243  0.302  0.237  1.0
  O  O21  1  0.254  0.748  0.083  1.0
  O  O22  1  0.711  0.272  0.090  1.0
  O  O23  1  0.252  0.763  0.245  1.0
  O  O24  1  0.247  0.252  0.416  1.0
  O  O25  1  0.736  0.333  0.231  1.0
  O  O26  1  0.734  0.779  0.085  1.0
  O  O27  1  0.265  0.670  0.431  1.0
  O  O28  1  0.269  0.232  0.576  1.0
  O  O29  1  0.749  0.763  0.245  1.0
  O  O30  1  0.745  0.258  0.415  1.0
  O  O31  1  0.290  0.701  0.582  1.0
  O  O32  1  0.253  0.265  0.755  1.0
  O  O33  1  0.751  0.248  0.584  1.0
  O  O34  1  0.770  0.703  0.418  1.0
  O  O35  1  0.263  0.263  0.906  1.0
  O  O36  1  0.272  0.714  0.753  1.0
  O  O37  1  0.763  0.708  0.580  1.0
  O  O38  1  0.720  0.254  0.753  1.0
  O  O39  1  0.270  0.761  0.910  1.0
  O  O40  1  0.737  0.739  0.763  1.0
  O  O41  1  0.744  0.280  0.909  1.0
  O  O42  1  0.759  0.750  0.909  1.0
[/CIF]
.
The crystal structure described by MgV12Zn6O24 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(11), one O(12), one O(16), one O(2), one O(5), and one O(6) atom to form distorted MgO6 octahedra that share corners with three equivalent V(4)O6 octahedra, corners with three equivalent V(8)O6 octahedra,  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(6)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-15°. 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 Mg(1)O6 octahedra,  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, corners with two equivalent Zn(1)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  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  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Zn(6)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(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 VO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra,  a cornercorner with one V(12)O4 tetrahedra, corners with two equivalent Zn(1)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. The corner-sharing octahedral tilt angles range from 2-15°. 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  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,  an edgeedge with one V(8)O6 octahedra, and edges with two equivalent Mg(1)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(4)O4 tetrahedra, corners with two equivalent Zn(6)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  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 corners with three equivalent Mg(1)O6 octahedra,  a cornercorner with one Zn(4)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra,  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. The corner-sharing octahedral tilt angles range from 7-9°. 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 52-60°. 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 52-60°. In the second Zn site, Zn(2) is bonded in a distorted 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 54-61°. In the fifth Zn site, Zn(5) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(16), 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 54-62°. 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 in a rectangular see-saw-like geometry to one Mg(1), one V(1), one V(2), and one V(4) atom. 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 OMgV3Zn square pyramids that share  a cornercorner with one O(7)V3Zn tetrahedra,  a cornercorner with one O(9)V3Zn tetrahedra, corners with two equivalent O(12)MgV3Zn trigonal bipyramids, edges with two equivalent O(11)MgV3Zn square pyramids,  an edgeedge with one O(7)V3Zn tetrahedra,  an edgeedge with one O(16)MgV3Zn trigonal bipyramid, and  an edgeedge with one O(6)MgV3Zn trigonal bipyramid. In the sixth O site, O(6) is bonded to one Mg(1), one V(3), one V(5), one V(8), and one Zn(2) atom to form OMgV3Zn trigonal bipyramids that share corners with two equivalent O(11)MgV3Zn square pyramids,  a cornercorner with one O(7)V3Zn tetrahedra,  a cornercorner with one O(9)V3Zn tetrahedra,  a cornercorner with one O(16)MgV3Zn trigonal bipyramid,  an edgeedge with one O(5)MgV3Zn square pyramid,  an edgeedge with one O(9)V3Zn tetrahedra,  an edgeedge with one O(16)MgV3Zn trigonal bipyramid, and edges with two equivalent O(12)MgV3Zn trigonal bipyramids. 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 square pyramid,  a cornercorner with one O(5)MgV3Zn square pyramid,  a cornercorner with one O(9)V3Zn tetrahedra,  a cornercorner with one O(12)MgV3Zn trigonal bipyramid,  a cornercorner with one O(16)MgV3Zn trigonal bipyramid,  a cornercorner with one O(6)MgV3Zn trigonal bipyramid,  an edgeedge with one O(11)MgV3Zn square pyramid, and  an edgeedge with one O(5)MgV3Zn square pyramid. 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 V(3), one V(5), one V(6), and one Zn(2) atom to form OV3Zn tetrahedra that share  a cornercorner with one O(11)MgV3Zn square pyramid,  a cornercorner with one O(5)MgV3Zn square pyramid,  a cornercorner with one O(7)V3Zn tetrahedra,  a cornercorner with one O(12)MgV3Zn trigonal bipyramid,  a cornercorner with one O(6)MgV3Zn trigonal bipyramid, corners with two equivalent O(16)MgV3Zn trigonal bipyramids,  an edgeedge with one O(12)MgV3Zn trigonal bipyramid, and  an edgeedge with one O(6)MgV3Zn trigonal bipyramid. 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 OMgV3Zn square pyramids that share  a cornercorner with one O(7)V3Zn tetrahedra,  a cornercorner with one O(9)V3Zn tetrahedra, corners with two equivalent O(6)MgV3Zn trigonal bipyramids, edges with two equivalent O(5)MgV3Zn square pyramids,  an edgeedge with one O(7)V3Zn tetrahedra,  an edgeedge with one O(12)MgV3Zn trigonal bipyramid, and  an edgeedge with one O(16)MgV3Zn trigonal bipyramid. In the twelfth O site, O(12) is bonded to one Mg(1), one V(5), one V(6), one V(8), and one Zn(2) atom to form OMgV3Zn trigonal bipyramids that share corners with two equivalent O(5)MgV3Zn square pyramids,  a cornercorner with one O(7)V3Zn tetrahedra,  a cornercorner with one O(9)V3Zn tetrahedra,  a cornercorner with one O(16)MgV3Zn trigonal bipyramid,  an edgeedge with one O(11)MgV3Zn square pyramid,  an edgeedge with one O(9)V3Zn tetrahedra,  an edgeedge with one O(16)MgV3Zn trigonal bipyramid, and edges with two equivalent O(6)MgV3Zn trigonal bipyramids. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one V(10), one V(6), one V(8), and one Zn(6) atom. 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 distorted 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 to one Mg(1), one V(3), one V(6), one V(8), and one Zn(5) atom to form OMgV3Zn trigonal bipyramids that share  a cornercorner with one O(7)V3Zn tetrahedra, corners with two equivalent O(9)V3Zn tetrahedra,  a cornercorner with one O(12)MgV3Zn trigonal bipyramid,  a cornercorner with one O(6)MgV3Zn trigonal bipyramid,  an edgeedge with one O(11)MgV3Zn square pyramid,  an edgeedge with one O(5)MgV3Zn square pyramid,  an edgeedge with one O(12)MgV3Zn trigonal bipyramid, and  an edgeedge with one O(6)MgV3Zn trigonal bipyramid. 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 a mixture of distorted corner and edge-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 in a rectangular see-saw-like geometry to one V(10), one V(3), one V(8), and one Zn(6) atom. 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 a mixture of distorted corner and edge-sharing OV3Zn trigonal pyramids. 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 tetrahedra. 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   6.057
_cell_length_b   6.153
_cell_length_c   18.261
_cell_angle_alpha   60.543
_cell_angle_beta   60.010
_cell_angle_gamma   60.842
_symmetry_Int_Tables_number   1
_cell_volume   486.194
_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  0.015  0.483  0.329  1.0
  V  V1  1  0.000  0.536  0.158  1.0
  V  V2  1  0.491  0.536  0.158  1.0
  V  V3  1  0.008  0.461  0.506  1.0
  V  V4  1  0.484  0.025  0.169  1.0
  V  V5  1  0.497  0.516  0.328  1.0
  V  V6  1  0.508  0.462  0.506  1.0
  V  V7  1  0.005  0.503  0.833  1.0
  V  V8  1  0.515  0.975  0.497  1.0
  V  V9  1  0.499  0.004  0.834  1.0
  V  V10  1  0.507  0.490  0.666  1.0
  V  V11  1  0.499  0.501  0.833  1.0
  V  V12  1  0.874  0.892  0.955  1.0
  Zn  Zn13  1  0.114  0.142  0.044  1.0
  Zn  Zn14  1  0.090  0.010  0.432  1.0
  Zn  Zn15  1  0.501  0.505  0.999  1.0
  Zn  Zn16  1  0.131  0.115  0.709  1.0
  Zn  Zn17  1  0.838  0.967  0.284  1.0
  Zn  Zn18  1  0.881  0.848  0.630  1.0
  O  O19  1  0.249  0.272  0.090  1.0
  O  O20  1  0.243  0.302  0.237  1.0
  O  O21  1  0.254  0.748  0.083  1.0
  O  O22  1  0.711  0.272  0.090  1.0
  O  O23  1  0.252  0.763  0.245  1.0
  O  O24  1  0.247  0.252  0.416  1.0
  O  O25  1  0.736  0.333  0.231  1.0
  O  O26  1  0.734  0.779  0.085  1.0
  O  O27  1  0.265  0.670  0.431  1.0
  O  O28  1  0.269  0.232  0.576  1.0
  O  O29  1  0.749  0.763  0.245  1.0
  O  O30  1  0.745  0.258  0.415  1.0
  O  O31  1  0.290  0.701  0.582  1.0
  O  O32  1  0.253  0.265  0.755  1.0
  O  O33  1  0.751  0.248  0.584  1.0
  O  O34  1  0.770  0.703  0.418  1.0
  O  O35  1  0.263  0.263  0.906  1.0
  O  O36  1  0.272  0.714  0.753  1.0
  O  O37  1  0.763  0.708  0.580  1.0
  O  O38  1  0.720  0.254  0.753  1.0
  O  O39  1  0.270  0.761  0.910  1.0
  O  O40  1  0.737  0.739  0.763  1.0
  O  O41  1  0.744  0.280  0.909  1.0
  O  O42  1  0.759  0.750  0.909  1.0
[/CIF]
.