The material described by MgV2(PO5)2 crystallizes in the orthorhombic Fdd2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(5) atoms. V(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-63°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one V(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.853
_cell_length_b   8.825
_cell_length_c   6.728
_cell_angle_alpha   77.323
_cell_angle_beta   60.905
_cell_angle_gamma   41.771
_symmetry_Int_Tables_number   1
_cell_volume   330.099
_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  0.998  0.502  0.502  1.0
  Mg  Mg1  1  0.748  0.252  0.252  1.0
  V  V2  1  0.390  0.350  0.878  1.0
  V  V3  1  0.382  0.878  0.350  1.0
  V  V4  1  0.900  0.860  0.868  1.0
  V  V5  1  0.372  0.868  0.860  1.0
  P  P6  1  0.962  0.453  0.037  1.0
  P  P7  1  0.797  0.288  0.703  1.0
  P  P8  1  0.547  0.037  0.453  1.0
  P  P9  1  0.213  0.703  0.288  1.0
  O  O10  1  0.447  0.250  0.583  1.0
  O  O11  1  0.338  0.828  0.658  1.0
  O  O12  1  0.412  0.618  0.307  1.0
  O  O13  1  0.667  0.530  0.803  1.0
  O  O14  1  0.758  0.948  0.215  1.0
  O  O15  1  0.350  0.123  0.427  1.0
  O  O16  1  0.422  0.912  0.073  1.0
  O  O17  1  0.177  0.658  0.828  1.0
  O  O18  1  0.592  0.073  0.912  1.0
  O  O19  1  0.302  0.492  0.170  1.0
  O  O20  1  0.720  0.583  0.250  1.0
  O  O21  1  0.035  0.170  0.492  1.0
  O  O22  1  0.080  0.215  0.948  1.0
  O  O23  1  0.127  0.900  0.150  1.0
  O  O24  1  0.100  0.427  0.123  1.0
  O  O25  1  0.823  0.150  0.900  1.0
  O  O26  1  0.943  0.587  0.838  1.0
  O  O27  1  0.663  0.307  0.618  1.0
  O  O28  1  0.000  0.803  0.530  1.0
  O  O29  1  0.632  0.838  0.587  1.0
[/CIF]
.
The material described by MgV2(PO5)2 crystallizes in the orthorhombic Fdd2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(5) atoms. V(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-63°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one V(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(1), one V(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgV2(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.853
_cell_length_b   8.825
_cell_length_c   6.728
_cell_angle_alpha   77.323
_cell_angle_beta   60.905
_cell_angle_gamma   41.771
_symmetry_Int_Tables_number   1
_cell_volume   330.099
_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  0.998  0.502  0.502  1.0
  Mg  Mg1  1  0.748  0.252  0.252  1.0
  V  V2  1  0.390  0.350  0.878  1.0
  V  V3  1  0.382  0.878  0.350  1.0
  V  V4  1  0.900  0.860  0.868  1.0
  V  V5  1  0.372  0.868  0.860  1.0
  P  P6  1  0.962  0.453  0.037  1.0
  P  P7  1  0.797  0.288  0.703  1.0
  P  P8  1  0.547  0.037  0.453  1.0
  P  P9  1  0.213  0.703  0.288  1.0
  O  O10  1  0.447  0.250  0.583  1.0
  O  O11  1  0.338  0.828  0.658  1.0
  O  O12  1  0.412  0.618  0.307  1.0
  O  O13  1  0.667  0.530  0.803  1.0
  O  O14  1  0.758  0.948  0.215  1.0
  O  O15  1  0.350  0.123  0.427  1.0
  O  O16  1  0.422  0.912  0.073  1.0
  O  O17  1  0.177  0.658  0.828  1.0
  O  O18  1  0.592  0.073  0.912  1.0
  O  O19  1  0.302  0.492  0.170  1.0
  O  O20  1  0.720  0.583  0.250  1.0
  O  O21  1  0.035  0.170  0.492  1.0
  O  O22  1  0.080  0.215  0.948  1.0
  O  O23  1  0.127  0.900  0.150  1.0
  O  O24  1  0.100  0.427  0.123  1.0
  O  O25  1  0.823  0.150  0.900  1.0
  O  O26  1  0.943  0.587  0.838  1.0
  O  O27  1  0.663  0.307  0.618  1.0
  O  O28  1  0.000  0.803  0.530  1.0
  O  O29  1  0.632  0.838  0.587  1.0
[/CIF]
.