The material described by NiSbP2O9 crystallizes in the orthorhombic Pnma space group. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. Sb(1) is bonded to one O(3), one O(4), one O(6), one O(7), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(7), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-51°. In the second P site, P(2) is bonded to one O(4), one O(6), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are seven inequivalent O sites. In the first O site, O(4) is bonded in an L-shaped geometry to one Sb(1) and one P(2) atom. In the second O site, O(5) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the third O site, O(6) is bonded in an L-shaped geometry to one Sb(1) and one P(2) atom. In the fourth O site, O(1) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the fifth O site, O(7) is bonded in a linear geometry to one Sb(1) and one P(1) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one P(1) atom. In the seventh O site, O(3) is bonded in a trigonal planar geometry to two equivalent Ni(1) and one Sb(1) atom. is represented by the CIF card [CIF]
data_NiSbP2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.399
_cell_length_b   7.881
_cell_length_c   14.070
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   709.498
_cell_formula_units_Z   4
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
  Ni  Ni0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.000  0.500  0.500  1.0
  Ni  Ni2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.500  0.000  0.000  1.0
  Sb  Sb4  1  0.750  0.652  0.877  1.0
  Sb  Sb5  1  0.250  0.348  0.123  1.0
  Sb  Sb6  1  0.250  0.152  0.623  1.0
  Sb  Sb7  1  0.750  0.848  0.377  1.0
  P  P8  1  0.250  0.655  0.940  1.0
  P  P9  1  0.750  0.345  0.060  1.0
  P  P10  1  0.750  0.155  0.560  1.0
  P  P11  1  0.250  0.845  0.440  1.0
  P  P12  1  0.750  0.607  0.686  1.0
  P  P13  1  0.250  0.393  0.314  1.0
  P  P14  1  0.250  0.107  0.814  1.0
  P  P15  1  0.750  0.893  0.186  1.0
  O  O16  1  0.450  0.406  0.374  1.0
  O  O17  1  0.950  0.594  0.626  1.0
  O  O18  1  0.550  0.906  0.126  1.0
  O  O19  1  0.050  0.094  0.874  1.0
  O  O20  1  0.550  0.594  0.626  1.0
  O  O21  1  0.050  0.406  0.374  1.0
  O  O22  1  0.450  0.094  0.874  1.0
  O  O23  1  0.950  0.906  0.126  1.0
  O  O24  1  0.250  0.665  0.482  1.0
  O  O25  1  0.750  0.335  0.518  1.0
  O  O26  1  0.750  0.165  0.018  1.0
  O  O27  1  0.250  0.835  0.982  1.0
  O  O28  1  0.750  0.855  0.954  1.0
  O  O29  1  0.250  0.145  0.046  1.0
  O  O30  1  0.250  0.355  0.546  1.0
  O  O31  1  0.750  0.645  0.454  1.0
  O  O32  1  0.750  0.775  0.748  1.0
  O  O33  1  0.250  0.225  0.252  1.0
  O  O34  1  0.250  0.275  0.752  1.0
  O  O35  1  0.750  0.725  0.248  1.0
  O  O36  1  0.060  0.869  0.373  1.0
  O  O37  1  0.560  0.131  0.627  1.0
  O  O38  1  0.940  0.369  0.127  1.0
  O  O39  1  0.440  0.631  0.873  1.0
  O  O40  1  0.940  0.131  0.627  1.0
  O  O41  1  0.440  0.869  0.373  1.0
  O  O42  1  0.060  0.631  0.873  1.0
  O  O43  1  0.560  0.369  0.127  1.0
  O  O44  1  0.750  0.026  0.272  1.0
  O  O45  1  0.250  0.974  0.728  1.0
  O  O46  1  0.250  0.526  0.228  1.0
  O  O47  1  0.750  0.474  0.772  1.0
  O  O48  1  0.750  0.020  0.481  1.0
  O  O49  1  0.250  0.980  0.519  1.0
  O  O50  1  0.250  0.520  0.019  1.0
  O  O51  1  0.750  0.480  0.981  1.0
[/CIF]
.
The material described by NiSbP2O9 crystallizes in the orthorhombic Pnma space group. Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. Sb(1) is bonded to one O(3), one O(4), one O(6), one O(7), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(7), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and corners with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-51°. In the second P site, P(2) is bonded to one O(4), one O(6), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with two equivalent Ni(1)O6 octahedra and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are seven inequivalent O sites. In the first O site, O(4) is bonded in an L-shaped geometry to one Sb(1) and one P(2) atom. In the second O site, O(5) is bonded in a bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the third O site, O(6) is bonded in an L-shaped geometry to one Sb(1) and one P(2) atom. In the fourth O site, O(1) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the fifth O site, O(7) is bonded in a linear geometry to one Sb(1) and one P(1) atom. In the sixth O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one P(1) atom. In the seventh O site, O(3) is bonded in a trigonal planar geometry to two equivalent Ni(1) and one Sb(1) atom. is represented by the CIF card [CIF]
data_NiSbP2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.399
_cell_length_b   7.881
_cell_length_c   14.070
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   709.498
_cell_formula_units_Z   4
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
  Ni  Ni0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.000  0.500  0.500  1.0
  Ni  Ni2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.500  0.000  0.000  1.0
  Sb  Sb4  1  0.750  0.652  0.877  1.0
  Sb  Sb5  1  0.250  0.348  0.123  1.0
  Sb  Sb6  1  0.250  0.152  0.623  1.0
  Sb  Sb7  1  0.750  0.848  0.377  1.0
  P  P8  1  0.250  0.655  0.940  1.0
  P  P9  1  0.750  0.345  0.060  1.0
  P  P10  1  0.750  0.155  0.560  1.0
  P  P11  1  0.250  0.845  0.440  1.0
  P  P12  1  0.750  0.607  0.686  1.0
  P  P13  1  0.250  0.393  0.314  1.0
  P  P14  1  0.250  0.107  0.814  1.0
  P  P15  1  0.750  0.893  0.186  1.0
  O  O16  1  0.450  0.406  0.374  1.0
  O  O17  1  0.950  0.594  0.626  1.0
  O  O18  1  0.550  0.906  0.126  1.0
  O  O19  1  0.050  0.094  0.874  1.0
  O  O20  1  0.550  0.594  0.626  1.0
  O  O21  1  0.050  0.406  0.374  1.0
  O  O22  1  0.450  0.094  0.874  1.0
  O  O23  1  0.950  0.906  0.126  1.0
  O  O24  1  0.250  0.665  0.482  1.0
  O  O25  1  0.750  0.335  0.518  1.0
  O  O26  1  0.750  0.165  0.018  1.0
  O  O27  1  0.250  0.835  0.982  1.0
  O  O28  1  0.750  0.855  0.954  1.0
  O  O29  1  0.250  0.145  0.046  1.0
  O  O30  1  0.250  0.355  0.546  1.0
  O  O31  1  0.750  0.645  0.454  1.0
  O  O32  1  0.750  0.775  0.748  1.0
  O  O33  1  0.250  0.225  0.252  1.0
  O  O34  1  0.250  0.275  0.752  1.0
  O  O35  1  0.750  0.725  0.248  1.0
  O  O36  1  0.060  0.869  0.373  1.0
  O  O37  1  0.560  0.131  0.627  1.0
  O  O38  1  0.940  0.369  0.127  1.0
  O  O39  1  0.440  0.631  0.873  1.0
  O  O40  1  0.940  0.131  0.627  1.0
  O  O41  1  0.440  0.869  0.373  1.0
  O  O42  1  0.060  0.631  0.873  1.0
  O  O43  1  0.560  0.369  0.127  1.0
  O  O44  1  0.750  0.026  0.272  1.0
  O  O45  1  0.250  0.974  0.728  1.0
  O  O46  1  0.250  0.526  0.228  1.0
  O  O47  1  0.750  0.474  0.772  1.0
  O  O48  1  0.750  0.020  0.481  1.0
  O  O49  1  0.250  0.980  0.519  1.0
  O  O50  1  0.250  0.520  0.019  1.0
  O  O51  1  0.750  0.480  0.981  1.0
[/CIF]
.