The material described by NiSb(PO4)2 crystallizes in the monoclinic P2_1/m space group. Ni(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form distorted NiO6 octahedra that share corners with four equivalent Sb(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 49-51°. Sb(1) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with four equivalent Ni(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 49-51°. 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(3) atoms to form PO4 tetrahedra that share  a cornercorner with one Sb(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ni(1), one Sb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ni(1), one Sb(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiSb(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.152
_cell_length_b   6.148
_cell_length_c   4.940
_cell_angle_alpha   90.000
_cell_angle_beta   88.405
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   308.197
_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
  Ni  Ni0  1  0.223  0.750  0.442  1.0
  Ni  Ni1  1  0.777  0.250  0.558  1.0
  Sb  Sb2  1  0.278  0.250  0.956  1.0
  Sb  Sb3  1  0.722  0.750  0.044  1.0
  P  P4  1  0.091  0.250  0.403  1.0
  P  P5  1  0.401  0.750  0.892  1.0
  P  P6  1  0.599  0.250  0.108  1.0
  P  P7  1  0.909  0.750  0.597  1.0
  O  O8  1  0.054  0.750  0.650  1.0
  O  O9  1  0.115  0.250  0.711  1.0
  O  O10  1  0.168  0.055  0.256  1.0
  O  O11  1  0.168  0.445  0.256  1.0
  O  O12  1  0.331  0.948  0.747  1.0
  O  O13  1  0.331  0.552  0.747  1.0
  O  O14  1  0.381  0.750  0.196  1.0
  O  O15  1  0.451  0.250  0.194  1.0
  O  O16  1  0.549  0.750  0.806  1.0
  O  O17  1  0.619  0.250  0.804  1.0
  O  O18  1  0.669  0.052  0.253  1.0
  O  O19  1  0.669  0.448  0.253  1.0
  O  O20  1  0.832  0.555  0.744  1.0
  O  O21  1  0.832  0.945  0.744  1.0
  O  O22  1  0.885  0.750  0.289  1.0
  O  O23  1  0.946  0.250  0.350  1.0
[/CIF]
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The material described by NiSb(PO4)2 crystallizes in the monoclinic P2_1/m space group. Ni(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form distorted NiO6 octahedra that share corners with four equivalent Sb(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 49-51°. Sb(1) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form SbO6 octahedra that share corners with four equivalent Ni(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 49-51°. 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(3) atoms to form PO4 tetrahedra that share  a cornercorner with one Sb(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, and  an edgeedge with one Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with three equivalent Sb(1)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ni(1), one Sb(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Ni(1), one Sb(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Sb(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiSb(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.152
_cell_length_b   6.148
_cell_length_c   4.940
_cell_angle_alpha   90.000
_cell_angle_beta   88.405
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   308.197
_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
  Ni  Ni0  1  0.223  0.750  0.442  1.0
  Ni  Ni1  1  0.777  0.250  0.558  1.0
  Sb  Sb2  1  0.278  0.250  0.956  1.0
  Sb  Sb3  1  0.722  0.750  0.044  1.0
  P  P4  1  0.091  0.250  0.403  1.0
  P  P5  1  0.401  0.750  0.892  1.0
  P  P6  1  0.599  0.250  0.108  1.0
  P  P7  1  0.909  0.750  0.597  1.0
  O  O8  1  0.054  0.750  0.650  1.0
  O  O9  1  0.115  0.250  0.711  1.0
  O  O10  1  0.168  0.055  0.256  1.0
  O  O11  1  0.168  0.445  0.256  1.0
  O  O12  1  0.331  0.948  0.747  1.0
  O  O13  1  0.331  0.552  0.747  1.0
  O  O14  1  0.381  0.750  0.196  1.0
  O  O15  1  0.451  0.250  0.194  1.0
  O  O16  1  0.549  0.750  0.806  1.0
  O  O17  1  0.619  0.250  0.804  1.0
  O  O18  1  0.669  0.052  0.253  1.0
  O  O19  1  0.669  0.448  0.253  1.0
  O  O20  1  0.832  0.555  0.744  1.0
  O  O21  1  0.832  0.945  0.744  1.0
  O  O22  1  0.885  0.750  0.289  1.0
  O  O23  1  0.946  0.250  0.350  1.0
[/CIF]
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