The material structure described by NiPO4 crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form NiO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Ni(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.030
_cell_length_b   5.052
_cell_length_c   8.708
_cell_angle_alpha   55.245
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   362.499
_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  0.173  0.169  0.027  1.0
  Ni  Ni1  1  0.673  0.831  0.473  1.0
  Ni  Ni2  1  0.327  0.169  0.527  1.0
  Ni  Ni3  1  0.827  0.831  0.973  1.0
  P  P4  1  0.406  0.897  0.290  1.0
  P  P5  1  0.906  0.103  0.210  1.0
  P  P6  1  0.094  0.897  0.790  1.0
  P  P7  1  0.594  0.103  0.710  1.0
  O  O8  1  0.631  0.427  0.682  1.0
  O  O9  1  0.849  0.115  0.041  1.0
  O  O10  1  0.845  0.826  0.399  1.0
  O  O11  1  0.059  0.052  0.225  1.0
  O  O12  1  0.559  0.948  0.275  1.0
  O  O13  1  0.345  0.174  0.101  1.0
  O  O14  1  0.349  0.885  0.459  1.0
  O  O15  1  0.131  0.573  0.818  1.0
  O  O16  1  0.869  0.427  0.182  1.0
  O  O17  1  0.651  0.115  0.541  1.0
  O  O18  1  0.655  0.826  0.899  1.0
  O  O19  1  0.441  0.052  0.725  1.0
  O  O20  1  0.941  0.948  0.775  1.0
  O  O21  1  0.155  0.174  0.601  1.0
  O  O22  1  0.151  0.885  0.959  1.0
  O  O23  1  0.369  0.573  0.318  1.0
[/CIF]
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The material structure described by NiPO4 crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form NiO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Ni(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.030
_cell_length_b   5.052
_cell_length_c   8.708
_cell_angle_alpha   55.245
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   362.499
_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  0.173  0.169  0.027  1.0
  Ni  Ni1  1  0.673  0.831  0.473  1.0
  Ni  Ni2  1  0.327  0.169  0.527  1.0
  Ni  Ni3  1  0.827  0.831  0.973  1.0
  P  P4  1  0.406  0.897  0.290  1.0
  P  P5  1  0.906  0.103  0.210  1.0
  P  P6  1  0.094  0.897  0.790  1.0
  P  P7  1  0.594  0.103  0.710  1.0
  O  O8  1  0.631  0.427  0.682  1.0
  O  O9  1  0.849  0.115  0.041  1.0
  O  O10  1  0.845  0.826  0.399  1.0
  O  O11  1  0.059  0.052  0.225  1.0
  O  O12  1  0.559  0.948  0.275  1.0
  O  O13  1  0.345  0.174  0.101  1.0
  O  O14  1  0.349  0.885  0.459  1.0
  O  O15  1  0.131  0.573  0.818  1.0
  O  O16  1  0.869  0.427  0.182  1.0
  O  O17  1  0.651  0.115  0.541  1.0
  O  O18  1  0.655  0.826  0.899  1.0
  O  O19  1  0.441  0.052  0.725  1.0
  O  O20  1  0.941  0.948  0.775  1.0
  O  O21  1  0.155  0.174  0.601  1.0
  O  O22  1  0.151  0.885  0.959  1.0
  O  O23  1  0.369  0.573  0.318  1.0
[/CIF]
.