The crystal structure described by MgV12(BO5)4 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a distorted trigonal planar geometry to one O(12) and two equivalent O(1) 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 corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 61-65°. 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 corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 61-64°. 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 corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 55°. 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 corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 59°. 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 corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 64-65°. In the sixth V site, V(6) is bonded in a 3-coordinate geometry to one O(11) and two equivalent O(2) atoms. 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 corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 18-61°. 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 corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 17-61°. In the ninth V site, V(9) is bonded to one O(1), one O(15), two equivalent O(11), and two equivalent O(19) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 15-55°. 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 corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 17-59°. 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 corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 15-17°. 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 corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 17-18°. 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 4-coordinate geometry to two equivalent Mg(1), one V(9), and one B(1) atom. In the second O site, O(2) is bonded in a 4-coordinate 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 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 in a 4-coordinate geometry to one V(11), two equivalent V(2), and one B(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to 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)V5 square pyramid, corners with two equivalent O(18)V5 square pyramids,  a cornercorner with one O(9)V4 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 V(3), one V(6), and two equivalent V(9) atoms to form OV4 tetrahedra that share  a cornercorner with one O(18)V5 square pyramid, corners with two equivalent O(19)V5 square pyramids, corners with two equivalent O(11)V4 tetrahedra, and  an edgeedge with one O(19)V5 square pyramid. In the twelfth O site, O(12) is bonded to one Mg(1), one V(4), and two equivalent V(10) atoms to form distorted OMgV3 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)MgV3 tetrahedra, 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 rectangular see-saw-like geometry to one V(9), two equivalent V(2), and one B(3) atom. In the sixteenth O site, O(16) is bonded in a 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)MgV3 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 OV5 square pyramids that share corners with two equivalent O(17)V5 square pyramids,  a cornercorner with one O(11)V4 tetrahedra, corners with two equivalent O(10)V4 tetrahedra,  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 V(2), two equivalent V(11), and two equivalent V(9) atoms to form OV5 square 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)V4 tetrahedra,  an edgeedge with one O(20)V5 square pyramid, edges with two equivalent O(19)V5 square pyramids, and  an edgeedge with one O(11)V4 tetrahedra. 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)V5 square pyramids,  a cornercorner with one O(9)V4 tetrahedra, corners with two equivalent O(12)MgV3 tetrahedra,  an edgeedge with one O(19)V5 square pyramid, edges with two equivalent O(20)V5 square pyramids, and  an edgeedge with one O(12)MgV3 tetrahedra. is represented by the CIF file [CIF]
data_MgV12(BO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.136
_cell_length_b   9.722
_cell_length_c   13.128
_cell_angle_alpha   92.336
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   399.949
_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  0.427  0.090  1.0
  V  V1  1  0.500  0.984  0.234  1.0
  V  V2  1  0.500  0.011  0.776  1.0
  V  V3  1  0.500  0.496  0.709  1.0
  V  V4  1  0.500  0.501  0.296  1.0
  V  V5  1  0.500  0.998  0.504  1.0
  V  V6  1  0.500  0.547  0.920  1.0
  V  V7  1  1.000  0.238  0.398  1.0
  V  V8  1  0.000  0.760  0.611  1.0
  V  V9  1  0.000  0.257  0.890  1.0
  V  V10  1  1.000  0.740  0.118  1.0
  V  V11  1  0.000  0.995  0.004  1.0
  V  V12  1  1.000  0.499  0.503  1.0
  B  B13  1  0.000  0.241  0.161  1.0
  B  B14  1  1.000  0.749  0.848  1.0
  B  B15  1  0.000  0.227  0.641  1.0
  B  B16  1  1.000  0.769  0.367  1.0
  O  O17  1  0.000  0.307  0.066  1.0
  O  O18  1  1.000  0.685  0.944  1.0
  O  O19  1  0.000  0.152  0.548  1.0
  O  O20  1  1.000  0.844  0.459  1.0
  O  O21  1  0.000  0.103  0.161  1.0
  O  O22  1  0.000  0.889  0.849  1.0
  O  O23  1  0.000  0.372  0.639  1.0
  O  O24  1  1.000  0.625  0.367  1.0
  O  O25  1  0.500  0.108  0.369  1.0
  O  O26  1  0.500  0.889  0.640  1.0
  O  O27  1  0.500  0.378  0.842  1.0
  O  O28  1  0.500  0.605  0.155  1.0
  O  O29  1  1.000  0.333  0.246  1.0
  O  O30  1  0.000  0.662  0.760  1.0
  O  O31  1  1.000  0.162  0.733  1.0
  O  O32  1  0.000  0.835  0.274  1.0
  O  O33  1  0.500  0.386  0.429  1.0
  O  O34  1  0.500  0.613  0.578  1.0
  O  O35  1  0.500  0.116  0.926  1.0
  O  O36  1  0.500  0.880  0.085  1.0
[/CIF]
.
The crystal structure described by MgV12(BO5)4 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a distorted trigonal planar geometry to one O(12) and two equivalent O(1) 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 corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 61-65°. 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 corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 61-64°. 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 corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 55°. 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 corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 59°. 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 corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 64-65°. In the sixth V site, V(6) is bonded in a 3-coordinate geometry to one O(11) and two equivalent O(2) atoms. 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 corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 18-61°. 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 corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 17-61°. In the ninth V site, V(9) is bonded to one O(1), one O(15), two equivalent O(11), and two equivalent O(19) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 15-55°. 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 corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 17-59°. 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 corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 15-17°. 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 corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 17-18°. 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 4-coordinate geometry to two equivalent Mg(1), one V(9), and one B(1) atom. In the second O site, O(2) is bonded in a 4-coordinate 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 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 in a 4-coordinate geometry to one V(11), two equivalent V(2), and one B(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to 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)V5 square pyramid, corners with two equivalent O(18)V5 square pyramids,  a cornercorner with one O(9)V4 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 V(3), one V(6), and two equivalent V(9) atoms to form OV4 tetrahedra that share  a cornercorner with one O(18)V5 square pyramid, corners with two equivalent O(19)V5 square pyramids, corners with two equivalent O(11)V4 tetrahedra, and  an edgeedge with one O(19)V5 square pyramid. In the twelfth O site, O(12) is bonded to one Mg(1), one V(4), and two equivalent V(10) atoms to form distorted OMgV3 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)MgV3 tetrahedra, 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 rectangular see-saw-like geometry to one V(9), two equivalent V(2), and one B(3) atom. In the sixteenth O site, O(16) is bonded in a 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)MgV3 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 OV5 square pyramids that share corners with two equivalent O(17)V5 square pyramids,  a cornercorner with one O(11)V4 tetrahedra, corners with two equivalent O(10)V4 tetrahedra,  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 V(2), two equivalent V(11), and two equivalent V(9) atoms to form OV5 square 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)V4 tetrahedra,  an edgeedge with one O(20)V5 square pyramid, edges with two equivalent O(19)V5 square pyramids, and  an edgeedge with one O(11)V4 tetrahedra. 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)V5 square pyramids,  a cornercorner with one O(9)V4 tetrahedra, corners with two equivalent O(12)MgV3 tetrahedra,  an edgeedge with one O(19)V5 square pyramid, edges with two equivalent O(20)V5 square pyramids, and  an edgeedge with one O(12)MgV3 tetrahedra. is represented by the CIF file [CIF]
data_MgV12(BO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.136
_cell_length_b   9.722
_cell_length_c   13.128
_cell_angle_alpha   92.336
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   399.949
_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  0.427  0.090  1.0
  V  V1  1  0.500  0.984  0.234  1.0
  V  V2  1  0.500  0.011  0.776  1.0
  V  V3  1  0.500  0.496  0.709  1.0
  V  V4  1  0.500  0.501  0.296  1.0
  V  V5  1  0.500  0.998  0.504  1.0
  V  V6  1  0.500  0.547  0.920  1.0
  V  V7  1  1.000  0.238  0.398  1.0
  V  V8  1  0.000  0.760  0.611  1.0
  V  V9  1  0.000  0.257  0.890  1.0
  V  V10  1  1.000  0.740  0.118  1.0
  V  V11  1  0.000  0.995  0.004  1.0
  V  V12  1  1.000  0.499  0.503  1.0
  B  B13  1  0.000  0.241  0.161  1.0
  B  B14  1  1.000  0.749  0.848  1.0
  B  B15  1  0.000  0.227  0.641  1.0
  B  B16  1  1.000  0.769  0.367  1.0
  O  O17  1  0.000  0.307  0.066  1.0
  O  O18  1  1.000  0.685  0.944  1.0
  O  O19  1  0.000  0.152  0.548  1.0
  O  O20  1  1.000  0.844  0.459  1.0
  O  O21  1  0.000  0.103  0.161  1.0
  O  O22  1  0.000  0.889  0.849  1.0
  O  O23  1  0.000  0.372  0.639  1.0
  O  O24  1  1.000  0.625  0.367  1.0
  O  O25  1  0.500  0.108  0.369  1.0
  O  O26  1  0.500  0.889  0.640  1.0
  O  O27  1  0.500  0.378  0.842  1.0
  O  O28  1  0.500  0.605  0.155  1.0
  O  O29  1  1.000  0.333  0.246  1.0
  O  O30  1  0.000  0.662  0.760  1.0
  O  O31  1  1.000  0.162  0.733  1.0
  O  O32  1  0.000  0.835  0.274  1.0
  O  O33  1  0.500  0.386  0.429  1.0
  O  O34  1  0.500  0.613  0.578  1.0
  O  O35  1  0.500  0.116  0.926  1.0
  O  O36  1  0.500  0.880  0.085  1.0
[/CIF]
.