The material described by MgV12Zn6O24 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(17), one O(21), one O(24), one O(4), and one O(8) atom. There are twelve inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(2), one O(3), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra,  an edgeedge with one V(5)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 Zn(2)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra,  an edgeedge with one V(5)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,  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  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra,  an edgeedge with one V(5)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(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,  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(6)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one V(10)O6 octahedra, edges with two equivalent V(11)O6 octahedra, and edges with two equivalent V(9)O6 octahedra. In the eighth V site, V(8) is bonded to one O(10), one O(12), one O(13), one O(16), one O(19), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Zn(4)O4 tetrahedra,  a cornercorner with one Zn(5)O4 tetrahedra, corners with two equivalent Zn(2)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. 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(6)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one V(10)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(6)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one V(10)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 in a 6-coordinate geometry to one O(1), one O(21), one O(23), one O(24), one O(4), and one O(8) atom. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. 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 56-60°. In the third Zn site, Zn(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(21), one O(23), one O(24), and one O(3) atom. 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 54-62°. 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 56-62°. 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 54-61°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Mg(1), one V(1), one V(12), 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 V(1), one V(2), one V(4), and one Zn(2) atom. In the third O site, O(3) is bonded to one V(1), one V(2), one Zn(1), and one Zn(3) atom to form OV2Zn2 tetrahedra that share  a cornercorner with one O(21)MgV3Zn square pyramid,  a cornercorner with one O(24)MgV3Zn square pyramid, corners with two equivalent O(8)MgV4 trigonal bipyramids, and  a cornercorner with one O(23)V3Zn trigonal pyramid. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one V(12), one V(2), one V(4), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a distorted 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 in a rectangular see-saw-like geometry to one V(1), one V(2), one V(5), and one Zn(5) atom. In the eighth O site, O(8) is bonded to one Mg(1), one V(1), one V(12), one V(2), and one V(4) atom to form OMgV4 trigonal bipyramids that share corners with two equivalent O(3)V2Zn2 tetrahedra,  a cornercorner with one O(17)MgV3 trigonal pyramid,  a cornercorner with one O(23)V3Zn trigonal pyramid,  an edgeedge with one O(21)MgV3Zn square pyramid, and  an edgeedge with one O(24)MgV3Zn square pyramid. 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 V(3), one V(6), one V(8), and one Zn(4) atom to form distorted corner-sharing OV3Zn trigonal pyramids. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one V(1), one V(4), one V(5), and one Zn(5) atom. 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 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 to one V(10), one V(3), one V(6), and one Zn(6) atom to form distorted corner-sharing OV3Zn trigonal pyramids. 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 to one Mg(1), one V(11), one V(7), and one V(9) atom to form OMgV3 trigonal pyramids that share  a cornercorner with one O(21)MgV3Zn square pyramid,  a cornercorner with one O(24)MgV3Zn square pyramid,  a cornercorner with one O(8)MgV4 trigonal bipyramid, corners with two equivalent O(23)V3Zn trigonal pyramids,  an edgeedge with one O(21)MgV3Zn square pyramid,  an edgeedge with one O(24)MgV3Zn square pyramid, and  an edgeedge with one O(20)V3Zn trigonal pyramid. 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 distorted OV3Zn trigonal pyramids that share  a cornercorner with one O(24)MgV3Zn square pyramid, corners with two equivalent O(21)MgV3Zn square pyramids,  a cornercorner with one O(10)V3Zn trigonal pyramid,  a cornercorner with one O(15)V3Zn trigonal pyramid,  a cornercorner with one O(23)V3Zn trigonal pyramid, and  an edgeedge with one O(17)MgV3 trigonal pyramid. In the twenty-first O site, O(21) is bonded to one Mg(1), one V(11), one V(12), one V(9), and one Zn(3) atom to form distorted OMgV3Zn square pyramids that share  a cornercorner with one O(3)V2Zn2 tetrahedra,  a cornercorner with one O(17)MgV3 trigonal pyramid,  a cornercorner with one O(23)V3Zn trigonal pyramid, corners with two equivalent O(20)V3Zn trigonal pyramids, edges with two equivalent O(24)MgV3Zn square pyramids,  an edgeedge with one O(8)MgV4 trigonal bipyramid,  an edgeedge with one O(17)MgV3 trigonal pyramid, and  an edgeedge with one O(23)V3Zn trigonal pyramid. In the twenty-second O site, O(22) is bonded in a rectangular see-saw-like geometry to one V(11), one V(7), one V(9), and one Zn(6) atom. In the twenty-third O site, O(23) is bonded to one V(11), one V(12), one V(7), and one Zn(3) atom to form OV3Zn trigonal pyramids that share  a cornercorner with one O(21)MgV3Zn square pyramid,  a cornercorner with one O(24)MgV3Zn square pyramid,  a cornercorner with one O(3)V2Zn2 tetrahedra,  a cornercorner with one O(8)MgV4 trigonal bipyramid,  a cornercorner with one O(20)V3Zn trigonal pyramid, corners with two equivalent O(17)MgV3 trigonal pyramids,  an edgeedge with one O(21)MgV3Zn square pyramid, and  an edgeedge with one O(24)MgV3Zn square pyramid. In the twenty-fourth O site, O(24) is bonded to one Mg(1), one V(12), one V(7), one V(9), and one Zn(3) atom to form distorted OMgV3Zn square pyramids that share  a cornercorner with one O(3)V2Zn2 tetrahedra,  a cornercorner with one O(17)MgV3 trigonal pyramid,  a cornercorner with one O(20)V3Zn trigonal pyramid,  a cornercorner with one O(23)V3Zn trigonal pyramid, edges with two equivalent O(21)MgV3Zn square pyramids,  an edgeedge with one O(8)MgV4 trigonal bipyramid,  an edgeedge with one O(17)MgV3 trigonal pyramid, and  an edgeedge with one O(23)V3Zn trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV12Zn6O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.060
_cell_length_b   6.117
_cell_length_c   18.162
_cell_angle_alpha   62.682
_cell_angle_beta   60.047
_cell_angle_gamma   59.962
_symmetry_Int_Tables_number   1
_cell_volume   485.000
_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  0.027  0.453  0.001  1.0
  V  V1  1  0.031  0.426  0.173  1.0
  V  V2  1  0.529  0.425  0.173  1.0
  V  V3  1  0.003  0.500  0.499  1.0
  V  V4  1  0.530  0.947  0.167  1.0
  V  V5  1  0.518  0.469  0.334  1.0
  V  V6  1  0.499  0.501  0.499  1.0
  V  V7  1  0.979  0.570  0.823  1.0
  V  V8  1  0.499  0.002  0.500  1.0
  V  V9  1  0.477  0.057  0.831  1.0
  V  V10  1  0.491  0.528  0.662  1.0
  V  V11  1  0.475  0.574  0.822  1.0
  V  V12  1  0.791  0.993  0.972  1.0
  Zn  Zn13  1  0.098  0.974  0.114  1.0
  Zn  Zn14  1  0.136  0.102  0.377  1.0
  Zn  Zn15  1  0.481  0.583  0.984  1.0
  Zn  Zn16  1  0.109  0.166  0.705  1.0
  Zn  Zn17  1  0.892  0.822  0.300  1.0
  Zn  Zn18  1  0.866  0.901  0.621  1.0
  O  O19  1  0.286  0.208  0.078  1.0
  O  O20  1  0.278  0.216  0.244  1.0
  O  O21  1  0.282  0.636  0.100  1.0
  O  O22  1  0.777  0.209  0.080  1.0
  O  O23  1  0.305  0.684  0.248  1.0
  O  O24  1  0.276  0.246  0.418  1.0
  O  O25  1  0.770  0.218  0.250  1.0
  O  O26  1  0.783  0.655  0.093  1.0
  O  O27  1  0.263  0.704  0.421  1.0
  O  O28  1  0.255  0.270  0.571  1.0
  O  O29  1  0.770  0.682  0.250  1.0
  O  O30  1  0.725  0.253  0.421  1.0
  O  O31  1  0.275  0.751  0.576  1.0
  O  O32  1  0.257  0.301  0.746  1.0
  O  O33  1  0.741  0.297  0.576  1.0
  O  O34  1  0.745  0.730  0.429  1.0
  O  O35  1  0.232  0.341  0.894  1.0
  O  O36  1  0.241  0.771  0.744  1.0
  O  O37  1  0.727  0.756  0.579  1.0
  O  O38  1  0.701  0.312  0.749  1.0
  O  O39  1  0.226  0.794  0.912  1.0
  O  O40  1  0.716  0.802  0.755  1.0
  O  O41  1  0.724  0.372  0.896  1.0
  O  O42  1  0.715  0.818  0.911  1.0
[/CIF]
.
The material described by MgV12Zn6O24 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(17), one O(21), one O(24), one O(4), and one O(8) atom. There are twelve inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(2), one O(3), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra,  an edgeedge with one V(5)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 Zn(2)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra,  an edgeedge with one V(5)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,  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  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra,  an edgeedge with one V(5)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(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,  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(6)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one V(10)O6 octahedra, edges with two equivalent V(11)O6 octahedra, and edges with two equivalent V(9)O6 octahedra. In the eighth V site, V(8) is bonded to one O(10), one O(12), one O(13), one O(16), one O(19), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Zn(4)O4 tetrahedra,  a cornercorner with one Zn(5)O4 tetrahedra, corners with two equivalent Zn(2)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. 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(6)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one V(10)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(6)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra,  an edgeedge with one V(10)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 in a 6-coordinate geometry to one O(1), one O(21), one O(23), one O(24), one O(4), and one O(8) atom. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. 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 56-60°. In the third Zn site, Zn(3) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(21), one O(23), one O(24), and one O(3) atom. 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 54-62°. 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 56-62°. 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 54-61°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Mg(1), one V(1), one V(12), 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 V(1), one V(2), one V(4), and one Zn(2) atom. In the third O site, O(3) is bonded to one V(1), one V(2), one Zn(1), and one Zn(3) atom to form OV2Zn2 tetrahedra that share  a cornercorner with one O(21)MgV3Zn square pyramid,  a cornercorner with one O(24)MgV3Zn square pyramid, corners with two equivalent O(8)MgV4 trigonal bipyramids, and  a cornercorner with one O(23)V3Zn trigonal pyramid. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one V(12), one V(2), one V(4), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a distorted 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 in a rectangular see-saw-like geometry to one V(1), one V(2), one V(5), and one Zn(5) atom. In the eighth O site, O(8) is bonded to one Mg(1), one V(1), one V(12), one V(2), and one V(4) atom to form OMgV4 trigonal bipyramids that share corners with two equivalent O(3)V2Zn2 tetrahedra,  a cornercorner with one O(17)MgV3 trigonal pyramid,  a cornercorner with one O(23)V3Zn trigonal pyramid,  an edgeedge with one O(21)MgV3Zn square pyramid, and  an edgeedge with one O(24)MgV3Zn square pyramid. 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 V(3), one V(6), one V(8), and one Zn(4) atom to form distorted corner-sharing OV3Zn trigonal pyramids. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one V(1), one V(4), one V(5), and one Zn(5) atom. 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 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 to one V(10), one V(3), one V(6), and one Zn(6) atom to form distorted corner-sharing OV3Zn trigonal pyramids. 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 to one Mg(1), one V(11), one V(7), and one V(9) atom to form OMgV3 trigonal pyramids that share  a cornercorner with one O(21)MgV3Zn square pyramid,  a cornercorner with one O(24)MgV3Zn square pyramid,  a cornercorner with one O(8)MgV4 trigonal bipyramid, corners with two equivalent O(23)V3Zn trigonal pyramids,  an edgeedge with one O(21)MgV3Zn square pyramid,  an edgeedge with one O(24)MgV3Zn square pyramid, and  an edgeedge with one O(20)V3Zn trigonal pyramid. 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 distorted OV3Zn trigonal pyramids that share  a cornercorner with one O(24)MgV3Zn square pyramid, corners with two equivalent O(21)MgV3Zn square pyramids,  a cornercorner with one O(10)V3Zn trigonal pyramid,  a cornercorner with one O(15)V3Zn trigonal pyramid,  a cornercorner with one O(23)V3Zn trigonal pyramid, and  an edgeedge with one O(17)MgV3 trigonal pyramid. In the twenty-first O site, O(21) is bonded to one Mg(1), one V(11), one V(12), one V(9), and one Zn(3) atom to form distorted OMgV3Zn square pyramids that share  a cornercorner with one O(3)V2Zn2 tetrahedra,  a cornercorner with one O(17)MgV3 trigonal pyramid,  a cornercorner with one O(23)V3Zn trigonal pyramid, corners with two equivalent O(20)V3Zn trigonal pyramids, edges with two equivalent O(24)MgV3Zn square pyramids,  an edgeedge with one O(8)MgV4 trigonal bipyramid,  an edgeedge with one O(17)MgV3 trigonal pyramid, and  an edgeedge with one O(23)V3Zn trigonal pyramid. In the twenty-second O site, O(22) is bonded in a rectangular see-saw-like geometry to one V(11), one V(7), one V(9), and one Zn(6) atom. In the twenty-third O site, O(23) is bonded to one V(11), one V(12), one V(7), and one Zn(3) atom to form OV3Zn trigonal pyramids that share  a cornercorner with one O(21)MgV3Zn square pyramid,  a cornercorner with one O(24)MgV3Zn square pyramid,  a cornercorner with one O(3)V2Zn2 tetrahedra,  a cornercorner with one O(8)MgV4 trigonal bipyramid,  a cornercorner with one O(20)V3Zn trigonal pyramid, corners with two equivalent O(17)MgV3 trigonal pyramids,  an edgeedge with one O(21)MgV3Zn square pyramid, and  an edgeedge with one O(24)MgV3Zn square pyramid. In the twenty-fourth O site, O(24) is bonded to one Mg(1), one V(12), one V(7), one V(9), and one Zn(3) atom to form distorted OMgV3Zn square pyramids that share  a cornercorner with one O(3)V2Zn2 tetrahedra,  a cornercorner with one O(17)MgV3 trigonal pyramid,  a cornercorner with one O(20)V3Zn trigonal pyramid,  a cornercorner with one O(23)V3Zn trigonal pyramid, edges with two equivalent O(21)MgV3Zn square pyramids,  an edgeedge with one O(8)MgV4 trigonal bipyramid,  an edgeedge with one O(17)MgV3 trigonal pyramid, and  an edgeedge with one O(23)V3Zn trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV12Zn6O24
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.060
_cell_length_b   6.117
_cell_length_c   18.162
_cell_angle_alpha   62.682
_cell_angle_beta   60.047
_cell_angle_gamma   59.962
_symmetry_Int_Tables_number   1
_cell_volume   485.000
_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  0.027  0.453  0.001  1.0
  V  V1  1  0.031  0.426  0.173  1.0
  V  V2  1  0.529  0.425  0.173  1.0
  V  V3  1  0.003  0.500  0.499  1.0
  V  V4  1  0.530  0.947  0.167  1.0
  V  V5  1  0.518  0.469  0.334  1.0
  V  V6  1  0.499  0.501  0.499  1.0
  V  V7  1  0.979  0.570  0.823  1.0
  V  V8  1  0.499  0.002  0.500  1.0
  V  V9  1  0.477  0.057  0.831  1.0
  V  V10  1  0.491  0.528  0.662  1.0
  V  V11  1  0.475  0.574  0.822  1.0
  V  V12  1  0.791  0.993  0.972  1.0
  Zn  Zn13  1  0.098  0.974  0.114  1.0
  Zn  Zn14  1  0.136  0.102  0.377  1.0
  Zn  Zn15  1  0.481  0.583  0.984  1.0
  Zn  Zn16  1  0.109  0.166  0.705  1.0
  Zn  Zn17  1  0.892  0.822  0.300  1.0
  Zn  Zn18  1  0.866  0.901  0.621  1.0
  O  O19  1  0.286  0.208  0.078  1.0
  O  O20  1  0.278  0.216  0.244  1.0
  O  O21  1  0.282  0.636  0.100  1.0
  O  O22  1  0.777  0.209  0.080  1.0
  O  O23  1  0.305  0.684  0.248  1.0
  O  O24  1  0.276  0.246  0.418  1.0
  O  O25  1  0.770  0.218  0.250  1.0
  O  O26  1  0.783  0.655  0.093  1.0
  O  O27  1  0.263  0.704  0.421  1.0
  O  O28  1  0.255  0.270  0.571  1.0
  O  O29  1  0.770  0.682  0.250  1.0
  O  O30  1  0.725  0.253  0.421  1.0
  O  O31  1  0.275  0.751  0.576  1.0
  O  O32  1  0.257  0.301  0.746  1.0
  O  O33  1  0.741  0.297  0.576  1.0
  O  O34  1  0.745  0.730  0.429  1.0
  O  O35  1  0.232  0.341  0.894  1.0
  O  O36  1  0.241  0.771  0.744  1.0
  O  O37  1  0.727  0.756  0.579  1.0
  O  O38  1  0.701  0.312  0.749  1.0
  O  O39  1  0.226  0.794  0.912  1.0
  O  O40  1  0.716  0.802  0.755  1.0
  O  O41  1  0.724  0.372  0.896  1.0
  O  O42  1  0.715  0.818  0.911  1.0
[/CIF]
.