The material structure described by MgVPO5 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(3), one O(4), one O(7), and one O(8) atom. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(2)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 48°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one O(9) atom 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 48°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom 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 40-52°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom 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 42-53°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(2), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Mg(2), one V(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Mg(2), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mg(2), one V(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mg(2), one V(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mg(2), one V(1), and one V(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. is represented by the CIF card [CIF]
data_MgVPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.307
_cell_length_b   5.451
_cell_length_c   7.049
_cell_angle_alpha   105.513
_cell_angle_beta   104.482
_cell_angle_gamma   101.236
_symmetry_Int_Tables_number   1
_cell_volume   182.602
_cell_formula_units_Z   2
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  0.784  0.634  0.237  1.0
  Mg  Mg1  1  0.175  0.326  0.707  1.0
  V  V2  1  0.500  0.004  0.494  1.0
  V  V3  1  0.502  0.997  0.993  1.0
  P  P4  1  0.171  0.354  0.252  1.0
  P  P5  1  0.838  0.659  0.739  1.0
  O  O6  1  0.391  0.342  0.144  1.0
  O  O7  1  0.188  0.180  0.395  1.0
  O  O8  1  0.631  0.665  0.859  1.0
  O  O9  1  0.824  0.851  0.611  1.0
  O  O10  1  0.790  0.371  0.590  1.0
  O  O11  1  0.130  0.710  0.885  1.0
  O  O12  1  0.198  0.644  0.383  1.0
  O  O13  1  0.882  0.278  0.093  1.0
  O  O14  1  0.410  0.099  0.748  1.0
  O  O15  1  0.599  0.908  0.243  1.0
[/CIF]
.
The material structure described by MgVPO5 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(3), one O(4), one O(7), and one O(8) atom. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(2)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 48°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(3), one O(6), one O(8), and one O(9) atom 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 48°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom 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 40-52°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom 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 42-53°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(2), and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(2), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Mg(2), one V(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Mg(2), one V(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mg(2), one V(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mg(2), one V(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mg(1), one V(2), and one P(1) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mg(2), one V(1), and one V(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. is represented by the CIF card [CIF]
data_MgVPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.307
_cell_length_b   5.451
_cell_length_c   7.049
_cell_angle_alpha   105.513
_cell_angle_beta   104.482
_cell_angle_gamma   101.236
_symmetry_Int_Tables_number   1
_cell_volume   182.602
_cell_formula_units_Z   2
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  0.784  0.634  0.237  1.0
  Mg  Mg1  1  0.175  0.326  0.707  1.0
  V  V2  1  0.500  0.004  0.494  1.0
  V  V3  1  0.502  0.997  0.993  1.0
  P  P4  1  0.171  0.354  0.252  1.0
  P  P5  1  0.838  0.659  0.739  1.0
  O  O6  1  0.391  0.342  0.144  1.0
  O  O7  1  0.188  0.180  0.395  1.0
  O  O8  1  0.631  0.665  0.859  1.0
  O  O9  1  0.824  0.851  0.611  1.0
  O  O10  1  0.790  0.371  0.590  1.0
  O  O11  1  0.130  0.710  0.885  1.0
  O  O12  1  0.198  0.644  0.383  1.0
  O  O13  1  0.882  0.278  0.093  1.0
  O  O14  1  0.410  0.099  0.748  1.0
  O  O15  1  0.599  0.908  0.243  1.0
[/CIF]
.