The structure described by MgV4(PO5)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(7) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-33°. In the second V site, V(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 28°. In the third V site, V(3) is bonded to two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 33°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-51°. In the second P site, P(2) is bonded to one O(10), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-47°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(1) 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(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one V(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Mg(1), one V(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. is represented by the CIF card [CIF]
data_MgV4(PO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.193
_cell_length_b   10.386
_cell_length_c   7.398
_cell_angle_alpha   71.380
_cell_angle_beta   68.810
_cell_angle_gamma   77.994
_symmetry_Int_Tables_number   1
_cell_volume   350.620
_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  0.250  0.250  1.0
  V  V1  1  0.077  0.508  0.984  1.0
  V  V2  1  0.000  0.750  0.250  1.0
  V  V3  1  0.500  0.250  0.750  1.0
  V  V4  1  0.923  0.992  0.516  1.0
  P  P5  1  0.584  0.021  0.196  1.0
  P  P6  1  0.416  0.479  0.304  1.0
  P  P7  1  0.285  0.965  0.805  1.0
  P  P8  1  0.715  0.535  0.695  1.0
  O  O9  1  0.284  0.068  0.331  1.0
  O  O10  1  0.231  0.420  0.224  1.0
  O  O11  1  0.019  0.848  0.418  1.0
  O  O12  1  0.233  0.880  0.022  1.0
  O  O13  1  0.344  0.630  0.285  1.0
  O  O14  1  0.250  0.119  0.777  1.0
  O  O15  1  0.387  0.378  0.512  1.0
  O  O16  1  0.224  0.343  0.924  1.0
  O  O17  1  0.769  0.080  0.276  1.0
  O  O18  1  0.082  0.928  0.720  1.0
  O  O19  1  0.716  0.432  0.169  1.0
  O  O20  1  0.416  0.580  0.822  1.0
  O  O21  1  0.776  0.157  0.576  1.0
  O  O22  1  0.613  0.122  0.988  1.0
  O  O23  1  0.918  0.572  0.780  1.0
  O  O24  1  0.656  0.870  0.215  1.0
  O  O25  1  0.767  0.620  0.478  1.0
  O  O26  1  0.981  0.652  0.082  1.0
  O  O27  1  0.584  0.920  0.678  1.0
  O  O28  1  0.750  0.381  0.723  1.0
[/CIF]
.
The structure described by MgV4(PO5)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(7) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 28-33°. In the second V site, V(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 28°. In the third V site, V(3) is bonded to two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 33°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-51°. In the second P site, P(2) is bonded to one O(10), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-47°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one P(1) 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(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one V(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Mg(1), one V(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. is represented by the CIF card [CIF]
data_MgV4(PO5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.193
_cell_length_b   10.386
_cell_length_c   7.398
_cell_angle_alpha   71.380
_cell_angle_beta   68.810
_cell_angle_gamma   77.994
_symmetry_Int_Tables_number   1
_cell_volume   350.620
_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  0.250  0.250  1.0
  V  V1  1  0.077  0.508  0.984  1.0
  V  V2  1  0.000  0.750  0.250  1.0
  V  V3  1  0.500  0.250  0.750  1.0
  V  V4  1  0.923  0.992  0.516  1.0
  P  P5  1  0.584  0.021  0.196  1.0
  P  P6  1  0.416  0.479  0.304  1.0
  P  P7  1  0.285  0.965  0.805  1.0
  P  P8  1  0.715  0.535  0.695  1.0
  O  O9  1  0.284  0.068  0.331  1.0
  O  O10  1  0.231  0.420  0.224  1.0
  O  O11  1  0.019  0.848  0.418  1.0
  O  O12  1  0.233  0.880  0.022  1.0
  O  O13  1  0.344  0.630  0.285  1.0
  O  O14  1  0.250  0.119  0.777  1.0
  O  O15  1  0.387  0.378  0.512  1.0
  O  O16  1  0.224  0.343  0.924  1.0
  O  O17  1  0.769  0.080  0.276  1.0
  O  O18  1  0.082  0.928  0.720  1.0
  O  O19  1  0.716  0.432  0.169  1.0
  O  O20  1  0.416  0.580  0.822  1.0
  O  O21  1  0.776  0.157  0.576  1.0
  O  O22  1  0.613  0.122  0.988  1.0
  O  O23  1  0.918  0.572  0.780  1.0
  O  O24  1  0.656  0.870  0.215  1.0
  O  O25  1  0.767  0.620  0.478  1.0
  O  O26  1  0.981  0.652  0.082  1.0
  O  O27  1  0.584  0.920  0.678  1.0
  O  O28  1  0.750  0.381  0.723  1.0
[/CIF]
.