The compound described by BiNiPO5 crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form NiO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra and  an edgeedge with one Ni(1)O6 octahedra. Bi(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms. 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 four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-49°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ni(1) and two equivalent Bi(1) atoms to form edge-sharing ONi2Bi2 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ni(1), one Bi(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ni(1), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ni(1), one Bi(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ni(1), one Bi(1), and one P(1) atom. is represented by the CIF file [CIF]
data_NiBiPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.158
_cell_length_b   7.183
_cell_length_c   11.188
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   107.136
_symmetry_Int_Tables_number   1
_cell_volume   396.139
_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  0.869  0.316  0.422  1.0
  Ni  Ni1  1  0.631  0.184  0.922  1.0
  Ni  Ni2  1  0.131  0.684  0.578  1.0
  Ni  Ni3  1  0.369  0.816  0.078  1.0
  Bi  Bi4  1  0.110  0.192  0.102  1.0
  Bi  Bi5  1  0.390  0.308  0.602  1.0
  Bi  Bi6  1  0.890  0.808  0.898  1.0
  Bi  Bi7  1  0.610  0.692  0.398  1.0
  P  P8  1  0.282  0.477  0.848  1.0
  P  P9  1  0.782  0.977  0.652  1.0
  P  P10  1  0.718  0.523  0.152  1.0
  P  P11  1  0.218  0.023  0.348  1.0
  O  O12  1  0.242  0.483  0.475  1.0
  O  O13  1  0.258  0.017  0.975  1.0
  O  O14  1  0.758  0.517  0.525  1.0
  O  O15  1  0.742  0.983  0.025  1.0
  O  O16  1  0.190  0.513  0.721  1.0
  O  O17  1  0.310  0.987  0.221  1.0
  O  O18  1  0.810  0.487  0.279  1.0
  O  O19  1  0.690  0.013  0.779  1.0
  O  O20  1  0.486  0.615  0.172  1.0
  O  O21  1  0.986  0.115  0.328  1.0
  O  O22  1  0.514  0.385  0.828  1.0
  O  O23  1  0.014  0.885  0.672  1.0
  O  O24  1  0.454  0.161  0.418  1.0
  O  O25  1  0.954  0.661  0.082  1.0
  O  O26  1  0.546  0.839  0.582  1.0
  O  O27  1  0.046  0.339  0.918  1.0
  O  O28  1  0.391  0.668  0.918  1.0
  O  O29  1  0.109  0.832  0.418  1.0
  O  O30  1  0.891  0.168  0.582  1.0
  O  O31  1  0.609  0.332  0.082  1.0
[/CIF]
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The compound described by BiNiPO5 crystallizes in the monoclinic P2_1/c space group. Ni(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form NiO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra and  an edgeedge with one Ni(1)O6 octahedra. Bi(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms. 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 four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-49°. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ni(1) and two equivalent Bi(1) atoms to form edge-sharing ONi2Bi2 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ni(1), one Bi(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ni(1), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ni(1), one Bi(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ni(1), one Bi(1), and one P(1) atom. is represented by the CIF file [CIF]
data_NiBiPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.158
_cell_length_b   7.183
_cell_length_c   11.188
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   107.136
_symmetry_Int_Tables_number   1
_cell_volume   396.139
_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  0.869  0.316  0.422  1.0
  Ni  Ni1  1  0.631  0.184  0.922  1.0
  Ni  Ni2  1  0.131  0.684  0.578  1.0
  Ni  Ni3  1  0.369  0.816  0.078  1.0
  Bi  Bi4  1  0.110  0.192  0.102  1.0
  Bi  Bi5  1  0.390  0.308  0.602  1.0
  Bi  Bi6  1  0.890  0.808  0.898  1.0
  Bi  Bi7  1  0.610  0.692  0.398  1.0
  P  P8  1  0.282  0.477  0.848  1.0
  P  P9  1  0.782  0.977  0.652  1.0
  P  P10  1  0.718  0.523  0.152  1.0
  P  P11  1  0.218  0.023  0.348  1.0
  O  O12  1  0.242  0.483  0.475  1.0
  O  O13  1  0.258  0.017  0.975  1.0
  O  O14  1  0.758  0.517  0.525  1.0
  O  O15  1  0.742  0.983  0.025  1.0
  O  O16  1  0.190  0.513  0.721  1.0
  O  O17  1  0.310  0.987  0.221  1.0
  O  O18  1  0.810  0.487  0.279  1.0
  O  O19  1  0.690  0.013  0.779  1.0
  O  O20  1  0.486  0.615  0.172  1.0
  O  O21  1  0.986  0.115  0.328  1.0
  O  O22  1  0.514  0.385  0.828  1.0
  O  O23  1  0.014  0.885  0.672  1.0
  O  O24  1  0.454  0.161  0.418  1.0
  O  O25  1  0.954  0.661  0.082  1.0
  O  O26  1  0.546  0.839  0.582  1.0
  O  O27  1  0.046  0.339  0.918  1.0
  O  O28  1  0.391  0.668  0.918  1.0
  O  O29  1  0.109  0.832  0.418  1.0
  O  O30  1  0.891  0.168  0.582  1.0
  O  O31  1  0.609  0.332  0.082  1.0
[/CIF]
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