The crystal structure described by MgV4Sb2(PO4)6 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form distorted MgO6 pentagonal pyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one P(1)O4 tetrahedra, and faces with two equivalent V(1)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a faceface with one Mg(1)O6 pentagonal pyramid. In the second V site, V(2) is bonded to one O(10), one O(11), one O(12), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. Sb(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(3), one O(6), one O(7), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 30-49°. In the second P site, P(2) is bonded to one O(11), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 29-50°. In the third P site, P(3) is bonded to one O(10), one O(2), one O(4), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 9-52°. In the fourth P site, P(4) is bonded to two equivalent O(1) and two equivalent O(12) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-47°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one Sb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one V(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one V(1), one Sb(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(1), one Sb(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(2), one Sb(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one V(2), one Sb(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one V(2), one Sb(1), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4Sb2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.985
_cell_length_b   8.850
_cell_length_c   8.983
_cell_angle_alpha   59.688
_cell_angle_beta   59.033
_cell_angle_gamma   59.666
_symmetry_Int_Tables_number   1
_cell_volume   498.852
_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  0.358  0.750  0.142  1.0
  V  V1  1  0.143  0.148  0.149  1.0
  V  V2  1  0.351  0.352  0.357  1.0
  V  V3  1  0.656  0.649  0.642  1.0
  V  V4  1  0.858  0.851  0.844  1.0
  Sb  Sb5  1  0.974  0.009  0.991  1.0
  Sb  Sb6  1  0.509  0.491  0.526  1.0
  P  P7  1  0.042  0.750  0.458  1.0
  P  P8  1  0.469  0.036  0.745  1.0
  P  P9  1  0.755  0.464  0.031  1.0
  P  P10  1  0.252  0.564  0.960  1.0
  P  P11  1  0.540  0.936  0.248  1.0
  P  P12  1  0.953  0.250  0.547  1.0
  O  O13  1  0.098  0.307  0.523  1.0
  O  O14  1  0.305  0.574  0.092  1.0
  O  O15  1  0.073  0.902  0.261  1.0
  O  O16  1  0.479  0.105  0.292  1.0
  O  O17  1  0.008  0.812  0.606  1.0
  O  O18  1  0.240  0.598  0.427  1.0
  O  O19  1  0.294  0.012  0.926  1.0
  O  O20  1  0.422  0.234  0.604  1.0
  O  O21  1  0.209  0.395  0.021  1.0
  O  O22  1  0.575  0.489  0.206  1.0
  O  O23  1  0.088  0.752  0.922  1.0
  O  O24  1  0.408  0.926  0.195  1.0
  O  O25  1  0.622  0.007  0.796  1.0
  O  O26  1  0.896  0.266  0.078  1.0
  O  O27  1  0.416  0.577  0.763  1.0
  O  O28  1  0.833  0.609  0.982  1.0
  O  O29  1  0.578  0.747  0.412  1.0
  O  O30  1  0.736  0.923  0.084  1.0
  O  O31  1  0.756  0.411  0.579  1.0
  O  O32  1  0.977  0.194  0.402  1.0
  O  O33  1  0.518  0.891  0.667  1.0
  O  O34  1  0.921  0.089  0.745  1.0
  O  O35  1  0.704  0.494  0.878  1.0
  O  O36  1  0.894  0.688  0.492  1.0
[/CIF]
.
The crystal structure described by MgV4Sb2(PO4)6 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form distorted MgO6 pentagonal pyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one P(1)O4 tetrahedra, and faces with two equivalent V(1)O6 octahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a faceface with one Mg(1)O6 pentagonal pyramid. In the second V site, V(2) is bonded to one O(10), one O(11), one O(12), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. Sb(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(3), one O(6), one O(7), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  an edgeedge with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 30-49°. In the second P site, P(2) is bonded to one O(11), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 29-50°. In the third P site, P(3) is bonded to one O(10), one O(2), one O(4), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 9-52°. In the fourth P site, P(4) is bonded to two equivalent O(1) and two equivalent O(12) atoms to form PO4 tetrahedra that share corners with two equivalent V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-47°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(3) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(1), one Sb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one V(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one V(1), one Sb(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(1), one Sb(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(2), one Sb(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one V(2), one Sb(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one V(2), one Sb(1), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV4Sb2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.985
_cell_length_b   8.850
_cell_length_c   8.983
_cell_angle_alpha   59.688
_cell_angle_beta   59.033
_cell_angle_gamma   59.666
_symmetry_Int_Tables_number   1
_cell_volume   498.852
_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  0.358  0.750  0.142  1.0
  V  V1  1  0.143  0.148  0.149  1.0
  V  V2  1  0.351  0.352  0.357  1.0
  V  V3  1  0.656  0.649  0.642  1.0
  V  V4  1  0.858  0.851  0.844  1.0
  Sb  Sb5  1  0.974  0.009  0.991  1.0
  Sb  Sb6  1  0.509  0.491  0.526  1.0
  P  P7  1  0.042  0.750  0.458  1.0
  P  P8  1  0.469  0.036  0.745  1.0
  P  P9  1  0.755  0.464  0.031  1.0
  P  P10  1  0.252  0.564  0.960  1.0
  P  P11  1  0.540  0.936  0.248  1.0
  P  P12  1  0.953  0.250  0.547  1.0
  O  O13  1  0.098  0.307  0.523  1.0
  O  O14  1  0.305  0.574  0.092  1.0
  O  O15  1  0.073  0.902  0.261  1.0
  O  O16  1  0.479  0.105  0.292  1.0
  O  O17  1  0.008  0.812  0.606  1.0
  O  O18  1  0.240  0.598  0.427  1.0
  O  O19  1  0.294  0.012  0.926  1.0
  O  O20  1  0.422  0.234  0.604  1.0
  O  O21  1  0.209  0.395  0.021  1.0
  O  O22  1  0.575  0.489  0.206  1.0
  O  O23  1  0.088  0.752  0.922  1.0
  O  O24  1  0.408  0.926  0.195  1.0
  O  O25  1  0.622  0.007  0.796  1.0
  O  O26  1  0.896  0.266  0.078  1.0
  O  O27  1  0.416  0.577  0.763  1.0
  O  O28  1  0.833  0.609  0.982  1.0
  O  O29  1  0.578  0.747  0.412  1.0
  O  O30  1  0.736  0.923  0.084  1.0
  O  O31  1  0.756  0.411  0.579  1.0
  O  O32  1  0.977  0.194  0.402  1.0
  O  O33  1  0.518  0.891  0.667  1.0
  O  O34  1  0.921  0.089  0.745  1.0
  O  O35  1  0.704  0.494  0.878  1.0
  O  O36  1  0.894  0.688  0.492  1.0
[/CIF]
.