The crystal structure described by Mg8V5O16 crystallizes in the monoclinic C2/m space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form MgO4 tetrahedra that share corners with three equivalent Mg(3)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-64°. In the second Mg site, Mg(2) is bonded to two equivalent O(4) and four equivalent O(5) atoms to form MgO6 octahedra that share edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with four equivalent Mg(5)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the third Mg site, Mg(3) is bonded to one O(3), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with three equivalent Mg(4)O6 octahedra, corners with three equivalent Mg(1)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fourth Mg site, Mg(4) is bonded to two equivalent O(6) and four equivalent O(5) atoms to form MgO6 octahedra that share corners with six equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with four equivalent Mg(5)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth Mg site, Mg(5) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with six equivalent V(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. 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(5), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Mg(5)O6 octahedra, corners with three equivalent Mg(1)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Mg(4)O6 octahedra,  an edgeedge with one Mg(5)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mg(3)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(6) is bonded to one Mg(3), one Mg(4), two equivalent Mg(5), and two equivalent V(1) atoms to form OMg4V2 octahedra that share corners with three equivalent O(6)Mg4V2 octahedra, corners with three equivalent O(3)Mg2V2 trigonal pyramids, edges with three equivalent O(4)Mg3V2 square pyramids, edges with six equivalent O(5)Mg4V square pyramids,  an edgeedge with one O(1)MgV3 trigonal pyramid, and edges with two equivalent O(2)Mg2V2 trigonal pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded to one Mg(1), one V(2), and two equivalent V(1) atoms to form distorted OMgV3 trigonal pyramids that share corners with two equivalent O(4)Mg3V2 square pyramids, corners with two equivalent O(5)Mg4V square pyramids,  a cornercorner with one O(1)MgV3 trigonal pyramid, corners with three equivalent O(3)Mg2V2 trigonal pyramids, corners with four equivalent O(2)Mg2V2 trigonal pyramids,  an edgeedge with one O(6)Mg4V2 octahedra, and edges with two equivalent O(2)Mg2V2 trigonal pyramids. In the third O site, O(2) is bonded to one Mg(1), one Mg(3), one V(1), and one V(2) atom to form distorted OMg2V2 trigonal pyramids that share  a cornercorner with one O(4)Mg3V2 square pyramid, corners with three equivalent O(5)Mg4V square pyramids, corners with two equivalent O(1)MgV3 trigonal pyramids, corners with three equivalent O(2)Mg2V2 trigonal pyramids, corners with three equivalent O(3)Mg2V2 trigonal pyramids,  an edgeedge with one O(6)Mg4V2 octahedra,  an edgeedge with one O(2)Mg2V2 trigonal pyramid, and  an edgeedge with one O(1)MgV3 trigonal pyramid. In the fourth O site, O(3) is bonded to one Mg(1), one Mg(3), and two equivalent V(1) atoms to form distorted OMg2V2 trigonal pyramids that share corners with three equivalent O(6)Mg4V2 octahedra, corners with three equivalent O(1)MgV3 trigonal pyramids, corners with six equivalent O(2)Mg2V2 trigonal pyramids,  an edgeedge with one O(4)Mg3V2 square pyramid, and edges with two equivalent O(5)Mg4V square pyramids. The corner-sharing octahedral tilt angles are 3°. In the fifth O site, O(4) is bonded to one Mg(2), two equivalent Mg(5), and two equivalent V(1) atoms to form OMg3V2 square pyramids that share corners with two equivalent O(5)Mg4V square pyramids, corners with three equivalent O(4)Mg3V2 square pyramids, corners with two equivalent O(2)Mg2V2 trigonal pyramids, corners with two equivalent O(1)MgV3 trigonal pyramids, edges with three equivalent O(6)Mg4V2 octahedra, edges with four equivalent O(5)Mg4V square pyramids, and  an edgeedge with one O(3)Mg2V2 trigonal pyramid. In the sixth O site, O(5) is bonded to one Mg(2), one Mg(3), one Mg(4), one Mg(5), and one V(1) atom to form OMg4V square pyramids that share  a cornercorner with one O(4)Mg3V2 square pyramid, corners with four equivalent O(5)Mg4V square pyramids,  a cornercorner with one O(1)MgV3 trigonal pyramid, corners with three equivalent O(2)Mg2V2 trigonal pyramids, edges with three equivalent O(6)Mg4V2 octahedra, edges with two equivalent O(4)Mg3V2 square pyramids, edges with two equivalent O(5)Mg4V square pyramids, and  an edgeedge with one O(3)Mg2V2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg8V5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.040
_cell_length_b   6.040
_cell_length_c   10.190
_cell_angle_alpha   73.363
_cell_angle_beta   73.363
_cell_angle_gamma   59.267
_symmetry_Int_Tables_number   1
_cell_volume   301.676
_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  0.686  0.686  0.927  1.0
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  Mg  Mg2  1  0.747  0.747  0.247  1.0
  Mg  Mg3  1  0.253  0.253  0.753  1.0
  Mg  Mg4  1  0.000  0.000  0.500  1.0
  Mg  Mg5  1  0.500  0.000  0.500  1.0
  Mg  Mg6  1  0.000  0.500  0.500  1.0
  Mg  Mg7  1  0.314  0.314  0.073  1.0
  V  V8  1  0.738  0.251  0.755  1.0
  V  V9  1  0.251  0.738  0.755  1.0
  V  V10  1  0.000  0.000  0.000  1.0
  V  V11  1  0.749  0.262  0.245  1.0
  V  V12  1  0.262  0.749  0.245  1.0
  O  O13  1  0.888  0.888  0.869  1.0
  O  O14  1  0.882  0.342  0.872  1.0
  O  O15  1  0.380  0.380  0.864  1.0
  O  O16  1  0.615  0.615  0.628  1.0
  O  O17  1  0.342  0.882  0.872  1.0
  O  O18  1  0.859  0.374  0.375  1.0
  O  O19  1  0.374  0.859  0.375  1.0
  O  O20  1  0.124  0.124  0.624  1.0
  O  O21  1  0.876  0.876  0.376  1.0
  O  O22  1  0.626  0.141  0.625  1.0
  O  O23  1  0.658  0.118  0.128  1.0
  O  O24  1  0.141  0.626  0.625  1.0
  O  O25  1  0.385  0.385  0.372  1.0
  O  O26  1  0.620  0.620  0.136  1.0
  O  O27  1  0.118  0.658  0.128  1.0
  O  O28  1  0.112  0.112  0.131  1.0
[/CIF]
.
The crystal structure described by Mg8V5O16 crystallizes in the monoclinic C2/m space group. There are five inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form MgO4 tetrahedra that share corners with three equivalent Mg(3)O6 octahedra, corners with three equivalent V(2)O6 octahedra, and corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-64°. In the second Mg site, Mg(2) is bonded to two equivalent O(4) and four equivalent O(5) atoms to form MgO6 octahedra that share edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with four equivalent Mg(5)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. In the third Mg site, Mg(3) is bonded to one O(3), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with three equivalent Mg(4)O6 octahedra, corners with three equivalent Mg(1)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fourth Mg site, Mg(4) is bonded to two equivalent O(6) and four equivalent O(5) atoms to form MgO6 octahedra that share corners with six equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with four equivalent Mg(5)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifth Mg site, Mg(5) is bonded to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with six equivalent V(1)O6 octahedra, edges with two equivalent Mg(2)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. 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(5), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Mg(5)O6 octahedra, corners with three equivalent Mg(1)O4 tetrahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one Mg(4)O6 octahedra,  an edgeedge with one Mg(5)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second V site, V(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Mg(1)O4 tetrahedra, edges with two equivalent Mg(3)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(6) is bonded to one Mg(3), one Mg(4), two equivalent Mg(5), and two equivalent V(1) atoms to form OMg4V2 octahedra that share corners with three equivalent O(6)Mg4V2 octahedra, corners with three equivalent O(3)Mg2V2 trigonal pyramids, edges with three equivalent O(4)Mg3V2 square pyramids, edges with six equivalent O(5)Mg4V square pyramids,  an edgeedge with one O(1)MgV3 trigonal pyramid, and edges with two equivalent O(2)Mg2V2 trigonal pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded to one Mg(1), one V(2), and two equivalent V(1) atoms to form distorted OMgV3 trigonal pyramids that share corners with two equivalent O(4)Mg3V2 square pyramids, corners with two equivalent O(5)Mg4V square pyramids,  a cornercorner with one O(1)MgV3 trigonal pyramid, corners with three equivalent O(3)Mg2V2 trigonal pyramids, corners with four equivalent O(2)Mg2V2 trigonal pyramids,  an edgeedge with one O(6)Mg4V2 octahedra, and edges with two equivalent O(2)Mg2V2 trigonal pyramids. In the third O site, O(2) is bonded to one Mg(1), one Mg(3), one V(1), and one V(2) atom to form distorted OMg2V2 trigonal pyramids that share  a cornercorner with one O(4)Mg3V2 square pyramid, corners with three equivalent O(5)Mg4V square pyramids, corners with two equivalent O(1)MgV3 trigonal pyramids, corners with three equivalent O(2)Mg2V2 trigonal pyramids, corners with three equivalent O(3)Mg2V2 trigonal pyramids,  an edgeedge with one O(6)Mg4V2 octahedra,  an edgeedge with one O(2)Mg2V2 trigonal pyramid, and  an edgeedge with one O(1)MgV3 trigonal pyramid. In the fourth O site, O(3) is bonded to one Mg(1), one Mg(3), and two equivalent V(1) atoms to form distorted OMg2V2 trigonal pyramids that share corners with three equivalent O(6)Mg4V2 octahedra, corners with three equivalent O(1)MgV3 trigonal pyramids, corners with six equivalent O(2)Mg2V2 trigonal pyramids,  an edgeedge with one O(4)Mg3V2 square pyramid, and edges with two equivalent O(5)Mg4V square pyramids. The corner-sharing octahedral tilt angles are 3°. In the fifth O site, O(4) is bonded to one Mg(2), two equivalent Mg(5), and two equivalent V(1) atoms to form OMg3V2 square pyramids that share corners with two equivalent O(5)Mg4V square pyramids, corners with three equivalent O(4)Mg3V2 square pyramids, corners with two equivalent O(2)Mg2V2 trigonal pyramids, corners with two equivalent O(1)MgV3 trigonal pyramids, edges with three equivalent O(6)Mg4V2 octahedra, edges with four equivalent O(5)Mg4V square pyramids, and  an edgeedge with one O(3)Mg2V2 trigonal pyramid. In the sixth O site, O(5) is bonded to one Mg(2), one Mg(3), one Mg(4), one Mg(5), and one V(1) atom to form OMg4V square pyramids that share  a cornercorner with one O(4)Mg3V2 square pyramid, corners with four equivalent O(5)Mg4V square pyramids,  a cornercorner with one O(1)MgV3 trigonal pyramid, corners with three equivalent O(2)Mg2V2 trigonal pyramids, edges with three equivalent O(6)Mg4V2 octahedra, edges with two equivalent O(4)Mg3V2 square pyramids, edges with two equivalent O(5)Mg4V square pyramids, and  an edgeedge with one O(3)Mg2V2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg8V5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.040
_cell_length_b   6.040
_cell_length_c   10.190
_cell_angle_alpha   73.363
_cell_angle_beta   73.363
_cell_angle_gamma   59.267
_symmetry_Int_Tables_number   1
_cell_volume   301.676
_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  0.686  0.686  0.927  1.0
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  Mg  Mg2  1  0.747  0.747  0.247  1.0
  Mg  Mg3  1  0.253  0.253  0.753  1.0
  Mg  Mg4  1  0.000  0.000  0.500  1.0
  Mg  Mg5  1  0.500  0.000  0.500  1.0
  Mg  Mg6  1  0.000  0.500  0.500  1.0
  Mg  Mg7  1  0.314  0.314  0.073  1.0
  V  V8  1  0.738  0.251  0.755  1.0
  V  V9  1  0.251  0.738  0.755  1.0
  V  V10  1  0.000  0.000  0.000  1.0
  V  V11  1  0.749  0.262  0.245  1.0
  V  V12  1  0.262  0.749  0.245  1.0
  O  O13  1  0.888  0.888  0.869  1.0
  O  O14  1  0.882  0.342  0.872  1.0
  O  O15  1  0.380  0.380  0.864  1.0
  O  O16  1  0.615  0.615  0.628  1.0
  O  O17  1  0.342  0.882  0.872  1.0
  O  O18  1  0.859  0.374  0.375  1.0
  O  O19  1  0.374  0.859  0.375  1.0
  O  O20  1  0.124  0.124  0.624  1.0
  O  O21  1  0.876  0.876  0.376  1.0
  O  O22  1  0.626  0.141  0.625  1.0
  O  O23  1  0.658  0.118  0.128  1.0
  O  O24  1  0.141  0.626  0.625  1.0
  O  O25  1  0.385  0.385  0.372  1.0
  O  O26  1  0.620  0.620  0.136  1.0
  O  O27  1  0.118  0.658  0.128  1.0
  O  O28  1  0.112  0.112  0.131  1.0
[/CIF]
.