The material described by VNi(PO4)2 crystallizes in the monoclinic P2_1/m space group. V(1) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form VO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-52°. Ni(1) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with four equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the second P site, P(2) is bonded to one O(3), one O(4), and two equivalent O(6) atoms to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-60°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(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(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one Ni(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(1), one Ni(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VNi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.804
_cell_length_b   9.923
_cell_length_c   5.827
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.979
_symmetry_Int_Tables_number   1
_cell_volume   277.774
_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
  V  V0  1  0.550  0.778  0.250  1.0
  V  V1  1  0.450  0.222  0.750  1.0
  Ni  Ni2  1  0.050  0.726  0.750  1.0
  Ni  Ni3  1  0.950  0.274  0.250  1.0
  P  P4  1  0.422  0.090  0.250  1.0
  P  P5  1  0.578  0.910  0.750  1.0
  P  P6  1  0.890  0.403  0.750  1.0
  P  P7  1  0.110  0.597  0.250  1.0
  O  O8  1  0.677  0.059  0.750  1.0
  O  O9  1  0.323  0.941  0.250  1.0
  O  O10  1  0.734  0.103  0.250  1.0
  O  O11  1  0.266  0.897  0.750  1.0
  O  O12  1  0.204  0.372  0.750  1.0
  O  O13  1  0.796  0.628  0.250  1.0
  O  O14  1  0.158  0.448  0.250  1.0
  O  O15  1  0.842  0.552  0.750  1.0
  O  O16  1  0.281  0.166  0.040  1.0
  O  O17  1  0.281  0.166  0.460  1.0
  O  O18  1  0.719  0.834  0.540  1.0
  O  O19  1  0.719  0.834  0.960  1.0
  O  O20  1  0.734  0.326  0.951  1.0
  O  O21  1  0.734  0.326  0.549  1.0
  O  O22  1  0.266  0.674  0.049  1.0
  O  O23  1  0.266  0.674  0.451  1.0
[/CIF]
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The material described by VNi(PO4)2 crystallizes in the monoclinic P2_1/m space group. V(1) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form VO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-52°. Ni(1) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with four equivalent V(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with three equivalent V(1)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the second P site, P(2) is bonded to one O(3), one O(4), and two equivalent O(6) atoms to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-60°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(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(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one Ni(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one V(1), one Ni(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VNi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.804
_cell_length_b   9.923
_cell_length_c   5.827
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.979
_symmetry_Int_Tables_number   1
_cell_volume   277.774
_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
  V  V0  1  0.550  0.778  0.250  1.0
  V  V1  1  0.450  0.222  0.750  1.0
  Ni  Ni2  1  0.050  0.726  0.750  1.0
  Ni  Ni3  1  0.950  0.274  0.250  1.0
  P  P4  1  0.422  0.090  0.250  1.0
  P  P5  1  0.578  0.910  0.750  1.0
  P  P6  1  0.890  0.403  0.750  1.0
  P  P7  1  0.110  0.597  0.250  1.0
  O  O8  1  0.677  0.059  0.750  1.0
  O  O9  1  0.323  0.941  0.250  1.0
  O  O10  1  0.734  0.103  0.250  1.0
  O  O11  1  0.266  0.897  0.750  1.0
  O  O12  1  0.204  0.372  0.750  1.0
  O  O13  1  0.796  0.628  0.250  1.0
  O  O14  1  0.158  0.448  0.250  1.0
  O  O15  1  0.842  0.552  0.750  1.0
  O  O16  1  0.281  0.166  0.040  1.0
  O  O17  1  0.281  0.166  0.460  1.0
  O  O18  1  0.719  0.834  0.540  1.0
  O  O19  1  0.719  0.834  0.960  1.0
  O  O20  1  0.734  0.326  0.951  1.0
  O  O21  1  0.734  0.326  0.549  1.0
  O  O22  1  0.266  0.674  0.049  1.0
  O  O23  1  0.266  0.674  0.451  1.0
[/CIF]
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