The material structure described by MgV12Zn6O24 is Spinel-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(12), one O(15), and one O(19) atom to form distorted MgO4 tetrahedra that share  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(10)O6 octahedra, corners with three equivalent V(3)O6 octahedra,  a cornercorner with one Zn(2)O4 tetrahedra,  a cornercorner with one Zn(4)O4 tetrahedra, and  an edgeedge with one Zn(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-64°. 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  a cornercorner with one Zn(4)O4 tetrahedra,  a cornercorner with one Zn(5)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra, corners with three equivalent Mg(1)O4 tetrahedra,  an edgeedge with one V(10)O6 octahedra, and  an edgeedge with one V(5)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  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  a cornercorner with one Mg(1)O4 tetrahedra, 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, and  an edgeedge with one V(4)O6 octahedra. In the sixth V site, V(6) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(13), one O(16), and one O(9) atom. 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 in a 5-coordinate geometry to one O(10), one O(12), one O(13), one O(16), and one O(6) atom. 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 two equivalent Mg(1)O4 tetrahedra, 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(7)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 55-59°. 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 56-59°. 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 three equivalent V(5)O6 octahedra, and  a cornercorner with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-64°. 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, corners with two equivalent V(11)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with two equivalent V(9)O6 octahedra, corners with three equivalent V(10)O6 octahedra, and  a cornercorner with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-65°. 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, 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 53-61°. 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 distorted 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 three equivalent V(10)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-71°. 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  a cornercorner with one O(12)MgV3Zn trigonal bipyramid, corners with two equivalent O(11)V3Zn trigonal pyramids, corners with two equivalent O(5)V3Zn trigonal pyramids, and corners with two equivalent O(7)V3Zn 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 distorted 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 V(2), one V(4), one V(5), and one Zn(5) atom to form distorted OV3Zn trigonal pyramids that share  a cornercorner with one O(12)MgV3Zn trigonal bipyramid,  a cornercorner with one O(11)V3Zn trigonal pyramid,  a cornercorner with one O(16)V3Zn trigonal pyramid,  a cornercorner with one O(7)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(7)V3Zn trigonal pyramid. 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(12)MgV3Zn trigonal bipyramid,  a cornercorner with one O(11)V3Zn trigonal pyramid,  a cornercorner with one O(16)V3Zn trigonal pyramid,  a cornercorner with one O(5)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(5)V3Zn trigonal 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 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 in a 5-coordinate geometry to one Mg(1), 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 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(12)MgV3Zn trigonal bipyramid,  a cornercorner with one O(16)V3Zn trigonal pyramid,  a cornercorner with one O(5)V3Zn trigonal pyramid,  a cornercorner with one O(7)V3Zn trigonal pyramid, corners with two equivalent O(2)V3Zn trigonal pyramids,  an edgeedge with one O(5)V3Zn trigonal pyramid, and  an edgeedge with one O(7)V3Zn trigonal pyramid. 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 distorted corner-sharing OMgV3Zn trigonal bipyramids. 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 OV3Zn tetrahedra that share  a cornercorner with one O(22)V3Zn tetrahedra, corners with two equivalent O(12)MgV3Zn trigonal bipyramids, and  an edgeedge with one O(16)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 4-coordinate geometry to one Mg(1), one V(10), one V(3), and one Zn(6) atom. In the sixteenth O site, O(16) is bonded to one V(3), one V(6), one V(8), and one Zn(5) atom to form distorted OV3Zn trigonal pyramids that share corners with two equivalent O(12)MgV3Zn trigonal bipyramids,  a cornercorner with one O(11)V3Zn trigonal pyramid,  a cornercorner with one O(5)V3Zn trigonal pyramid,  a cornercorner with one O(7)V3Zn trigonal pyramid, and  an edgeedge with one O(13)V3Zn tetrahedra. 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 in a 4-coordinate geometry to one Mg(1), one V(10), one V(3), and one Zn(6) atom. 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 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 CIF card [CIF]
data_MgV12Zn6O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.153
_cell_length_b   6.107
_cell_length_c   18.575
_cell_angle_alpha   60.457
_cell_angle_beta   58.966
_cell_angle_gamma   60.123
_symmetry_Int_Tables_number   1
_cell_volume   491.637
_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  0.680  0.088  0.548  1.0
  V  V1  1  0.993  0.508  0.164  1.0
  V  V2  1  0.492  0.507  0.163  1.0
  V  V3  1  0.990  0.506  0.499  1.0
  V  V4  1  0.492  0.010  0.164  1.0
  V  V5  1  0.473  0.519  0.329  1.0
  V  V6  1  0.462  0.576  0.485  1.0
  V  V7  1  0.009  0.486  0.839  1.0
  V  V8  1  0.464  0.006  0.485  1.0
  V  V9  1  0.499  0.996  0.839  1.0
  V  V10  1  0.533  0.482  0.669  1.0
  V  V11  1  0.500  0.489  0.838  1.0
  V  V12  1  0.874  0.876  0.958  1.0
  Zn  Zn13  1  0.115  0.120  0.048  1.0
  Zn  Zn14  1  0.107  0.152  0.363  1.0
  Zn  Zn15  1  0.495  0.498  0.003  1.0
  Zn  Zn16  1  0.135  0.121  0.708  1.0
  Zn  Zn17  1  0.870  0.890  0.283  1.0
  Zn  Zn18  1  0.936  0.808  0.651  1.0
  O  O19  1  0.249  0.257  0.090  1.0
  O  O20  1  0.247  0.275  0.234  1.0
  O  O21  1  0.250  0.723  0.090  1.0
  O  O22  1  0.716  0.256  0.090  1.0
  O  O23  1  0.274  0.754  0.239  1.0
  O  O24  1  0.242  0.281  0.410  1.0
  O  O25  1  0.724  0.297  0.243  1.0
  O  O26  1  0.743  0.748  0.087  1.0
  O  O27  1  0.240  0.748  0.409  1.0
  O  O28  1  0.285  0.251  0.571  1.0
  O  O29  1  0.723  0.749  0.243  1.0
  O  O30  1  0.699  0.268  0.421  1.0
  O  O31  1  0.307  0.722  0.584  1.0
  O  O32  1  0.267  0.261  0.756  1.0
  O  O33  1  0.770  0.234  0.594  1.0
  O  O34  1  0.742  0.753  0.417  1.0
  O  O35  1  0.256  0.256  0.911  1.0
  O  O36  1  0.280  0.706  0.757  1.0
  O  O37  1  0.771  0.714  0.594  1.0
  O  O38  1  0.728  0.238  0.761  1.0
  O  O39  1  0.269  0.752  0.912  1.0
  O  O40  1  0.742  0.719  0.774  1.0
  O  O41  1  0.742  0.266  0.913  1.0
  O  O42  1  0.752  0.739  0.914  1.0
[/CIF]
.
The material structure described by MgV12Zn6O24 is Spinel-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(12), one O(15), and one O(19) atom to form distorted MgO4 tetrahedra that share  a cornercorner with one V(5)O6 octahedra, corners with two equivalent V(10)O6 octahedra, corners with three equivalent V(3)O6 octahedra,  a cornercorner with one Zn(2)O4 tetrahedra,  a cornercorner with one Zn(4)O4 tetrahedra, and  an edgeedge with one Zn(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-64°. 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  a cornercorner with one Zn(4)O4 tetrahedra,  a cornercorner with one Zn(5)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra, corners with three equivalent Mg(1)O4 tetrahedra,  an edgeedge with one V(10)O6 octahedra, and  an edgeedge with one V(5)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  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  a cornercorner with one Mg(1)O4 tetrahedra, 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, and  an edgeedge with one V(4)O6 octahedra. In the sixth V site, V(6) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(13), one O(16), and one O(9) atom. 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 in a 5-coordinate geometry to one O(10), one O(12), one O(13), one O(16), and one O(6) atom. 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 two equivalent Mg(1)O4 tetrahedra, 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(7)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 55-59°. 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 56-59°. 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 three equivalent V(5)O6 octahedra, and  a cornercorner with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-64°. 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, corners with two equivalent V(11)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with two equivalent V(9)O6 octahedra, corners with three equivalent V(10)O6 octahedra, and  a cornercorner with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-65°. 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, 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 53-61°. 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 distorted 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 three equivalent V(10)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-71°. 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  a cornercorner with one O(12)MgV3Zn trigonal bipyramid, corners with two equivalent O(11)V3Zn trigonal pyramids, corners with two equivalent O(5)V3Zn trigonal pyramids, and corners with two equivalent O(7)V3Zn 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 distorted 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 V(2), one V(4), one V(5), and one Zn(5) atom to form distorted OV3Zn trigonal pyramids that share  a cornercorner with one O(12)MgV3Zn trigonal bipyramid,  a cornercorner with one O(11)V3Zn trigonal pyramid,  a cornercorner with one O(16)V3Zn trigonal pyramid,  a cornercorner with one O(7)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(7)V3Zn trigonal pyramid. 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(12)MgV3Zn trigonal bipyramid,  a cornercorner with one O(11)V3Zn trigonal pyramid,  a cornercorner with one O(16)V3Zn trigonal pyramid,  a cornercorner with one O(5)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(5)V3Zn trigonal 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 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 in a 5-coordinate geometry to one Mg(1), 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 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(12)MgV3Zn trigonal bipyramid,  a cornercorner with one O(16)V3Zn trigonal pyramid,  a cornercorner with one O(5)V3Zn trigonal pyramid,  a cornercorner with one O(7)V3Zn trigonal pyramid, corners with two equivalent O(2)V3Zn trigonal pyramids,  an edgeedge with one O(5)V3Zn trigonal pyramid, and  an edgeedge with one O(7)V3Zn trigonal pyramid. 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 distorted corner-sharing OMgV3Zn trigonal bipyramids. 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 OV3Zn tetrahedra that share  a cornercorner with one O(22)V3Zn tetrahedra, corners with two equivalent O(12)MgV3Zn trigonal bipyramids, and  an edgeedge with one O(16)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 4-coordinate geometry to one Mg(1), one V(10), one V(3), and one Zn(6) atom. In the sixteenth O site, O(16) is bonded to one V(3), one V(6), one V(8), and one Zn(5) atom to form distorted OV3Zn trigonal pyramids that share corners with two equivalent O(12)MgV3Zn trigonal bipyramids,  a cornercorner with one O(11)V3Zn trigonal pyramid,  a cornercorner with one O(5)V3Zn trigonal pyramid,  a cornercorner with one O(7)V3Zn trigonal pyramid, and  an edgeedge with one O(13)V3Zn tetrahedra. 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 in a 4-coordinate geometry to one Mg(1), one V(10), one V(3), and one Zn(6) atom. 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 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 CIF card [CIF]
data_MgV12Zn6O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.153
_cell_length_b   6.107
_cell_length_c   18.575
_cell_angle_alpha   60.457
_cell_angle_beta   58.966
_cell_angle_gamma   60.123
_symmetry_Int_Tables_number   1
_cell_volume   491.637
_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  0.680  0.088  0.548  1.0
  V  V1  1  0.993  0.508  0.164  1.0
  V  V2  1  0.492  0.507  0.163  1.0
  V  V3  1  0.990  0.506  0.499  1.0
  V  V4  1  0.492  0.010  0.164  1.0
  V  V5  1  0.473  0.519  0.329  1.0
  V  V6  1  0.462  0.576  0.485  1.0
  V  V7  1  0.009  0.486  0.839  1.0
  V  V8  1  0.464  0.006  0.485  1.0
  V  V9  1  0.499  0.996  0.839  1.0
  V  V10  1  0.533  0.482  0.669  1.0
  V  V11  1  0.500  0.489  0.838  1.0
  V  V12  1  0.874  0.876  0.958  1.0
  Zn  Zn13  1  0.115  0.120  0.048  1.0
  Zn  Zn14  1  0.107  0.152  0.363  1.0
  Zn  Zn15  1  0.495  0.498  0.003  1.0
  Zn  Zn16  1  0.135  0.121  0.708  1.0
  Zn  Zn17  1  0.870  0.890  0.283  1.0
  Zn  Zn18  1  0.936  0.808  0.651  1.0
  O  O19  1  0.249  0.257  0.090  1.0
  O  O20  1  0.247  0.275  0.234  1.0
  O  O21  1  0.250  0.723  0.090  1.0
  O  O22  1  0.716  0.256  0.090  1.0
  O  O23  1  0.274  0.754  0.239  1.0
  O  O24  1  0.242  0.281  0.410  1.0
  O  O25  1  0.724  0.297  0.243  1.0
  O  O26  1  0.743  0.748  0.087  1.0
  O  O27  1  0.240  0.748  0.409  1.0
  O  O28  1  0.285  0.251  0.571  1.0
  O  O29  1  0.723  0.749  0.243  1.0
  O  O30  1  0.699  0.268  0.421  1.0
  O  O31  1  0.307  0.722  0.584  1.0
  O  O32  1  0.267  0.261  0.756  1.0
  O  O33  1  0.770  0.234  0.594  1.0
  O  O34  1  0.742  0.753  0.417  1.0
  O  O35  1  0.256  0.256  0.911  1.0
  O  O36  1  0.280  0.706  0.757  1.0
  O  O37  1  0.771  0.714  0.594  1.0
  O  O38  1  0.728  0.238  0.761  1.0
  O  O39  1  0.269  0.752  0.912  1.0
  O  O40  1  0.742  0.719  0.774  1.0
  O  O41  1  0.742  0.266  0.913  1.0
  O  O42  1  0.752  0.739  0.914  1.0
[/CIF]
.