The structure described by MgV12(BO5)4 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 6-coordinate geometry to one O(11), one O(19), two equivalent O(15), and two equivalent O(7) atoms. There are twelve inequivalent V sites. In the first V site, V(1) is bonded to one O(20), one O(9), two equivalent O(16), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 62-66°. In the second V site, V(2) is bonded to one O(10), one O(19), two equivalent O(15), and two equivalent O(6) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 55-65°. In the third V site, V(3) is bonded to one O(11), one O(18), two equivalent O(14), and two equivalent O(7) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 68°. In the fourth V site, V(4) is bonded to one O(12), one O(17), two equivalent O(13), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 64°. In the fifth V site, V(5) is bonded to one O(10), one O(9), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the sixth V site, V(6) is bonded to one O(11), one O(12), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 64-68°. In the seventh V site, V(7) is bonded to one O(13), one O(3), two equivalent O(17), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 16-62°. In the eighth V site, V(8) is bonded to one O(14), one O(4), two equivalent O(10), and two equivalent O(18) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 23-65°. In the ninth V site, V(9) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(11), and two equivalent O(19) atoms. In the tenth V site, V(10) is bonded to one O(16), one O(2), two equivalent O(12), and two equivalent O(20) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 21-64°. In the eleventh V site, V(11) is bonded to one O(5), one O(6), two equivalent O(19), and two equivalent O(20) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 21°. In the twelfth V site, V(12) is bonded to one O(7), one O(8), two equivalent O(17), and two equivalent O(18) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 16-23°. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(13), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(14), one O(2), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(15), one O(3), and one O(7) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(16), one O(4), and one O(8) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one V(9), two equivalent V(6), and one B(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one V(10), two equivalent V(6), and one B(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one V(7), two equivalent V(5), and one B(3) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one V(8), two equivalent V(5), and one B(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one V(11), two equivalent V(1), and one B(1) atom. In the sixth O site, O(6) is bonded to one V(11), two equivalent V(2), and one B(2) atom to form distorted OV3B tetrahedra that share corners with two equivalent O(20)V5 square pyramids, corners with two equivalent O(6)V3B tetrahedra, corners with two equivalent O(10)V4 tetrahedra, and edges with two equivalent O(19)MgV5 pentagonal pyramids. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Mg(1), one V(12), two equivalent V(3), and one B(3) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one V(12), two equivalent V(4), and one B(4) atom. In the ninth O site, O(9) is bonded to one V(1), one V(5), and two equivalent V(7) atoms to form OV4 tetrahedra that share  a cornercorner with one O(20)V5 square pyramid, corners with two equivalent O(17)V5 square pyramids,  a cornercorner with one O(10)V4 tetrahedra, corners with two equivalent O(9)V4 tetrahedra, and  an edgeedge with one O(17)V5 square pyramid. In the tenth O site, O(10) is bonded to one V(2), one V(5), and two equivalent V(8) atoms to form OV4 tetrahedra that share  a cornercorner with one O(19)MgV5 pentagonal pyramid, corners with two equivalent O(18)V5 square pyramids,  a cornercorner with one O(9)V4 tetrahedra, corners with two equivalent O(6)V3B tetrahedra, corners with two equivalent O(10)V4 tetrahedra, and  an edgeedge with one O(18)V5 square pyramid. In the eleventh O site, O(11) is bonded to one Mg(1), one V(3), one V(6), and two equivalent V(9) atoms to form distorted OMgV4 trigonal bipyramids that share corners with two equivalent O(19)MgV5 pentagonal pyramids,  a cornercorner with one O(18)V5 square pyramid,  a cornercorner with one O(12)V4 tetrahedra, corners with two equivalent O(11)MgV4 trigonal bipyramids, and  a faceface with one O(19)MgV5 pentagonal pyramid. In the twelfth O site, O(12) is bonded to one V(4), one V(6), and two equivalent V(10) atoms to form OV4 tetrahedra that share  a cornercorner with one O(17)V5 square pyramid, corners with two equivalent O(20)V5 square pyramids, corners with two equivalent O(12)V4 tetrahedra,  a cornercorner with one O(11)MgV4 trigonal bipyramid, and  an edgeedge with one O(20)V5 square pyramid. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one V(7), two equivalent V(4), and one B(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one V(8), two equivalent V(3), and one B(2) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to two equivalent Mg(1), two equivalent V(2), and one B(3) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one V(10), two equivalent V(1), and one B(4) atom. In the seventeenth O site, O(17) is bonded to one V(4), two equivalent V(12), and two equivalent V(7) atoms to form OV5 square pyramids that share corners with two equivalent O(18)V5 square pyramids,  a cornercorner with one O(12)V4 tetrahedra, corners with two equivalent O(9)V4 tetrahedra,  an edgeedge with one O(18)V5 square pyramid, edges with two equivalent O(17)V5 square pyramids, and  an edgeedge with one O(9)V4 tetrahedra. In the eighteenth O site, O(18) is bonded to one V(3), two equivalent V(12), and two equivalent V(8) atoms to form distorted OV5 square pyramids that share corners with two equivalent O(17)V5 square pyramids, corners with two equivalent O(10)V4 tetrahedra,  a cornercorner with one O(11)MgV4 trigonal bipyramid,  an edgeedge with one O(17)V5 square pyramid, edges with two equivalent O(18)V5 square pyramids, and  an edgeedge with one O(10)V4 tetrahedra. In the nineteenth O site, O(19) is bonded to one Mg(1), one V(2), two equivalent V(11), and two equivalent V(9) atoms to form distorted OMgV5 pentagonal pyramids that share corners with two equivalent O(20)V5 square pyramids,  a cornercorner with one O(10)V4 tetrahedra, corners with two equivalent O(11)MgV4 trigonal bipyramids, edges with two equivalent O(19)MgV5 pentagonal pyramids,  an edgeedge with one O(20)V5 square pyramid, edges with two equivalent O(6)V3B tetrahedra, and  a faceface with one O(11)MgV4 trigonal bipyramid. In the twentieth O site, O(20) is bonded to one V(1), two equivalent V(10), and two equivalent V(11) atoms to form OV5 square pyramids that share corners with two equivalent O(19)MgV5 pentagonal pyramids,  a cornercorner with one O(9)V4 tetrahedra, corners with two equivalent O(6)V3B tetrahedra, corners with two equivalent O(12)V4 tetrahedra,  an edgeedge with one O(19)MgV5 pentagonal pyramid, edges with two equivalent O(20)V5 square pyramids, and  an edgeedge with one O(12)V4 tetrahedra. is represented by the CIF card [CIF]
data_MgV12(BO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.174
_cell_length_b   9.754
_cell_length_c   12.978
_cell_angle_alpha   88.952
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   401.650
_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  0.500  0.240  0.767  1.0
  V  V1  1  0.500  0.014  0.218  1.0
  V  V2  1  0.500  0.963  0.773  1.0
  V  V3  1  0.500  0.513  0.725  1.0
  V  V4  1  0.500  0.513  0.280  1.0
  V  V5  1  0.500  0.994  0.489  1.0
  V  V6  1  0.500  0.514  0.006  1.0
  V  V7  1  0.000  0.250  0.383  1.0
  V  V8  1  1.000  0.751  0.603  1.0
  V  V9  1  1.000  0.258  0.929  1.0
  V  V10  1  0.000  0.751  0.117  1.0
  V  V11  1  1.000  0.989  0.996  1.0
  V  V12  1  0.000  0.498  0.497  1.0
  B  B13  1  0.000  0.290  0.147  1.0
  B  B14  1  0.000  0.720  0.862  1.0
  B  B15  1  0.000  0.210  0.622  1.0
  B  B16  1  0.000  0.779  0.356  1.0
  O  O17  1  0.000  0.374  0.058  1.0
  O  O18  1  1.000  0.656  0.957  1.0
  O  O19  1  1.000  0.150  0.530  1.0
  O  O20  1  1.000  0.847  0.449  1.0
  O  O21  1  1.000  0.147  0.138  1.0
  O  O22  1  1.000  0.864  0.857  1.0
  O  O23  1  0.000  0.351  0.646  1.0
  O  O24  1  0.000  0.635  0.356  1.0
  O  O25  1  0.500  0.121  0.355  1.0
  O  O26  1  0.500  0.880  0.631  1.0
  O  O27  1  0.500  0.386  0.867  1.0
  O  O28  1  0.500  0.627  0.141  1.0
  O  O29  1  0.000  0.357  0.240  1.0
  O  O30  1  0.000  0.649  0.769  1.0
  O  O31  1  1.000  0.128  0.716  1.0
  O  O32  1  0.000  0.854  0.263  1.0
  O  O33  1  0.500  0.394  0.421  1.0
  O  O34  1  0.500  0.599  0.578  1.0
  O  O35  1  0.500  0.107  0.908  1.0
  O  O36  1  0.500  0.897  0.078  1.0
[/CIF]
.
The structure described by MgV12(BO5)4 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 6-coordinate geometry to one O(11), one O(19), two equivalent O(15), and two equivalent O(7) atoms. There are twelve inequivalent V sites. In the first V site, V(1) is bonded to one O(20), one O(9), two equivalent O(16), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 62-66°. In the second V site, V(2) is bonded to one O(10), one O(19), two equivalent O(15), and two equivalent O(6) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 55-65°. In the third V site, V(3) is bonded to one O(11), one O(18), two equivalent O(14), and two equivalent O(7) atoms to form a mixture of distorted edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 68°. In the fourth V site, V(4) is bonded to one O(12), one O(17), two equivalent O(13), and two equivalent O(8) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 64°. In the fifth V site, V(5) is bonded to one O(10), one O(9), two equivalent O(3), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In the sixth V site, V(6) is bonded to one O(11), one O(12), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 64-68°. In the seventh V site, V(7) is bonded to one O(13), one O(3), two equivalent O(17), and two equivalent O(9) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 16-62°. In the eighth V site, V(8) is bonded to one O(14), one O(4), two equivalent O(10), and two equivalent O(18) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 23-65°. In the ninth V site, V(9) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(11), and two equivalent O(19) atoms. In the tenth V site, V(10) is bonded to one O(16), one O(2), two equivalent O(12), and two equivalent O(20) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 21-64°. In the eleventh V site, V(11) is bonded to one O(5), one O(6), two equivalent O(19), and two equivalent O(20) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 21°. In the twelfth V site, V(12) is bonded to one O(7), one O(8), two equivalent O(17), and two equivalent O(18) atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 16-23°. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(13), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(14), one O(2), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(15), one O(3), and one O(7) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(16), one O(4), and one O(8) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one V(9), two equivalent V(6), and one B(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one V(10), two equivalent V(6), and one B(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one V(7), two equivalent V(5), and one B(3) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one V(8), two equivalent V(5), and one B(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one V(11), two equivalent V(1), and one B(1) atom. In the sixth O site, O(6) is bonded to one V(11), two equivalent V(2), and one B(2) atom to form distorted OV3B tetrahedra that share corners with two equivalent O(20)V5 square pyramids, corners with two equivalent O(6)V3B tetrahedra, corners with two equivalent O(10)V4 tetrahedra, and edges with two equivalent O(19)MgV5 pentagonal pyramids. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Mg(1), one V(12), two equivalent V(3), and one B(3) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one V(12), two equivalent V(4), and one B(4) atom. In the ninth O site, O(9) is bonded to one V(1), one V(5), and two equivalent V(7) atoms to form OV4 tetrahedra that share  a cornercorner with one O(20)V5 square pyramid, corners with two equivalent O(17)V5 square pyramids,  a cornercorner with one O(10)V4 tetrahedra, corners with two equivalent O(9)V4 tetrahedra, and  an edgeedge with one O(17)V5 square pyramid. In the tenth O site, O(10) is bonded to one V(2), one V(5), and two equivalent V(8) atoms to form OV4 tetrahedra that share  a cornercorner with one O(19)MgV5 pentagonal pyramid, corners with two equivalent O(18)V5 square pyramids,  a cornercorner with one O(9)V4 tetrahedra, corners with two equivalent O(6)V3B tetrahedra, corners with two equivalent O(10)V4 tetrahedra, and  an edgeedge with one O(18)V5 square pyramid. In the eleventh O site, O(11) is bonded to one Mg(1), one V(3), one V(6), and two equivalent V(9) atoms to form distorted OMgV4 trigonal bipyramids that share corners with two equivalent O(19)MgV5 pentagonal pyramids,  a cornercorner with one O(18)V5 square pyramid,  a cornercorner with one O(12)V4 tetrahedra, corners with two equivalent O(11)MgV4 trigonal bipyramids, and  a faceface with one O(19)MgV5 pentagonal pyramid. In the twelfth O site, O(12) is bonded to one V(4), one V(6), and two equivalent V(10) atoms to form OV4 tetrahedra that share  a cornercorner with one O(17)V5 square pyramid, corners with two equivalent O(20)V5 square pyramids, corners with two equivalent O(12)V4 tetrahedra,  a cornercorner with one O(11)MgV4 trigonal bipyramid, and  an edgeedge with one O(20)V5 square pyramid. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one V(7), two equivalent V(4), and one B(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one V(8), two equivalent V(3), and one B(2) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to two equivalent Mg(1), two equivalent V(2), and one B(3) atom. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one V(10), two equivalent V(1), and one B(4) atom. In the seventeenth O site, O(17) is bonded to one V(4), two equivalent V(12), and two equivalent V(7) atoms to form OV5 square pyramids that share corners with two equivalent O(18)V5 square pyramids,  a cornercorner with one O(12)V4 tetrahedra, corners with two equivalent O(9)V4 tetrahedra,  an edgeedge with one O(18)V5 square pyramid, edges with two equivalent O(17)V5 square pyramids, and  an edgeedge with one O(9)V4 tetrahedra. In the eighteenth O site, O(18) is bonded to one V(3), two equivalent V(12), and two equivalent V(8) atoms to form distorted OV5 square pyramids that share corners with two equivalent O(17)V5 square pyramids, corners with two equivalent O(10)V4 tetrahedra,  a cornercorner with one O(11)MgV4 trigonal bipyramid,  an edgeedge with one O(17)V5 square pyramid, edges with two equivalent O(18)V5 square pyramids, and  an edgeedge with one O(10)V4 tetrahedra. In the nineteenth O site, O(19) is bonded to one Mg(1), one V(2), two equivalent V(11), and two equivalent V(9) atoms to form distorted OMgV5 pentagonal pyramids that share corners with two equivalent O(20)V5 square pyramids,  a cornercorner with one O(10)V4 tetrahedra, corners with two equivalent O(11)MgV4 trigonal bipyramids, edges with two equivalent O(19)MgV5 pentagonal pyramids,  an edgeedge with one O(20)V5 square pyramid, edges with two equivalent O(6)V3B tetrahedra, and  a faceface with one O(11)MgV4 trigonal bipyramid. In the twentieth O site, O(20) is bonded to one V(1), two equivalent V(10), and two equivalent V(11) atoms to form OV5 square pyramids that share corners with two equivalent O(19)MgV5 pentagonal pyramids,  a cornercorner with one O(9)V4 tetrahedra, corners with two equivalent O(6)V3B tetrahedra, corners with two equivalent O(12)V4 tetrahedra,  an edgeedge with one O(19)MgV5 pentagonal pyramid, edges with two equivalent O(20)V5 square pyramids, and  an edgeedge with one O(12)V4 tetrahedra. is represented by the CIF card [CIF]
data_MgV12(BO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.174
_cell_length_b   9.754
_cell_length_c   12.978
_cell_angle_alpha   88.952
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   401.650
_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  0.500  0.240  0.767  1.0
  V  V1  1  0.500  0.014  0.218  1.0
  V  V2  1  0.500  0.963  0.773  1.0
  V  V3  1  0.500  0.513  0.725  1.0
  V  V4  1  0.500  0.513  0.280  1.0
  V  V5  1  0.500  0.994  0.489  1.0
  V  V6  1  0.500  0.514  0.006  1.0
  V  V7  1  0.000  0.250  0.383  1.0
  V  V8  1  1.000  0.751  0.603  1.0
  V  V9  1  1.000  0.258  0.929  1.0
  V  V10  1  0.000  0.751  0.117  1.0
  V  V11  1  1.000  0.989  0.996  1.0
  V  V12  1  0.000  0.498  0.497  1.0
  B  B13  1  0.000  0.290  0.147  1.0
  B  B14  1  0.000  0.720  0.862  1.0
  B  B15  1  0.000  0.210  0.622  1.0
  B  B16  1  0.000  0.779  0.356  1.0
  O  O17  1  0.000  0.374  0.058  1.0
  O  O18  1  1.000  0.656  0.957  1.0
  O  O19  1  1.000  0.150  0.530  1.0
  O  O20  1  1.000  0.847  0.449  1.0
  O  O21  1  1.000  0.147  0.138  1.0
  O  O22  1  1.000  0.864  0.857  1.0
  O  O23  1  0.000  0.351  0.646  1.0
  O  O24  1  0.000  0.635  0.356  1.0
  O  O25  1  0.500  0.121  0.355  1.0
  O  O26  1  0.500  0.880  0.631  1.0
  O  O27  1  0.500  0.386  0.867  1.0
  O  O28  1  0.500  0.627  0.141  1.0
  O  O29  1  0.000  0.357  0.240  1.0
  O  O30  1  0.000  0.649  0.769  1.0
  O  O31  1  1.000  0.128  0.716  1.0
  O  O32  1  0.000  0.854  0.263  1.0
  O  O33  1  0.500  0.394  0.421  1.0
  O  O34  1  0.500  0.599  0.578  1.0
  O  O35  1  0.500  0.107  0.908  1.0
  O  O36  1  0.500  0.897  0.078  1.0
[/CIF]
.