The compound described by MgV2P2(HO5)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the second V site, V(2) is bonded to two equivalent O(1), 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 four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, 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 31-47°. H(1) is bonded in a single-bond geometry to one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mg(1), one V(1), one V(2), and one H(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to 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 P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one P(1) atom. is represented by the CIF card [CIF]
data_MgV2P2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.459
_cell_length_b   7.555
_cell_length_c   5.204
_cell_angle_alpha   110.925
_cell_angle_beta   92.684
_cell_angle_gamma   110.186
_symmetry_Int_Tables_number   1
_cell_volume   184.580
_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  0.505  0.002  0.996  1.0
  V  V1  1  0.005  0.502  0.996  1.0
  V  V2  1  0.005  0.002  0.996  1.0
  P  P3  1  0.360  0.255  0.638  1.0
  P  P4  1  0.650  0.749  0.355  1.0
  H  H5  1  0.947  0.311  0.323  1.0
  H  H6  1  0.065  0.694  0.669  1.0
  O  O7  1  0.125  0.757  0.875  1.0
  O  O8  1  0.162  0.363  0.675  1.0
  O  O9  1  0.357  0.605  0.257  1.0
  O  O10  1  0.314  0.120  0.317  1.0
  O  O11  1  0.293  0.107  0.795  1.0
  O  O12  1  0.716  0.897  0.198  1.0
  O  O13  1  0.696  0.884  0.676  1.0
  O  O14  1  0.653  0.399  0.737  1.0
  O  O15  1  0.849  0.641  0.318  1.0
  O  O16  1  0.885  0.247  0.117  1.0
[/CIF]
.
The compound described by MgV2P2(HO5)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the second V site, V(2) is bonded to two equivalent O(1), 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 four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, 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 31-47°. H(1) is bonded in a single-bond geometry to one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Mg(1), one V(1), one V(2), and one H(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to 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 P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one V(2), and one P(1) atom. is represented by the CIF card [CIF]
data_MgV2P2(HO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.459
_cell_length_b   7.555
_cell_length_c   5.204
_cell_angle_alpha   110.925
_cell_angle_beta   92.684
_cell_angle_gamma   110.186
_symmetry_Int_Tables_number   1
_cell_volume   184.580
_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  0.505  0.002  0.996  1.0
  V  V1  1  0.005  0.502  0.996  1.0
  V  V2  1  0.005  0.002  0.996  1.0
  P  P3  1  0.360  0.255  0.638  1.0
  P  P4  1  0.650  0.749  0.355  1.0
  H  H5  1  0.947  0.311  0.323  1.0
  H  H6  1  0.065  0.694  0.669  1.0
  O  O7  1  0.125  0.757  0.875  1.0
  O  O8  1  0.162  0.363  0.675  1.0
  O  O9  1  0.357  0.605  0.257  1.0
  O  O10  1  0.314  0.120  0.317  1.0
  O  O11  1  0.293  0.107  0.795  1.0
  O  O12  1  0.716  0.897  0.198  1.0
  O  O13  1  0.696  0.884  0.676  1.0
  O  O14  1  0.653  0.399  0.737  1.0
  O  O15  1  0.849  0.641  0.318  1.0
  O  O16  1  0.885  0.247  0.117  1.0
[/CIF]
.