The crystal structure described by Na4Ni(PO4)6 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(2), one O(5), one O(6), one O(9), and two equivalent O(1) atoms to form NaO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Na(1)O6 octahedra, and edges with two equivalent Na(2)O6 octahedra. In the second Na site, Na(2) is bonded to one O(1), one O(10), one O(6), one O(9), and two equivalent O(8) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Na(2)O6 octahedra, and edges with two equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. Ni(1) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(12) atoms to form NiO6 octahedra that share corners with two equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are three inequivalent P sites. In the first P site, 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  a cornercorner with one Na(2)O6 octahedra, corners with three equivalent Na(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the second P site, P(2) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent Na(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-65°. In the third P site, P(3) is bonded to one O(4), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra, corners with three equivalent Na(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-60°. There are twelve inequivalent O sites. In the first O site, O(12) is bonded in a single-bond geometry to one Ni(1) atom. In the second O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), two equivalent Na(1), and one P(1) atom. In the third O site, O(2) is bonded in a bent 120 degrees geometry to one Na(1) and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the sixth O site, O(5) is bonded in a bent 120 degrees geometry to one Na(1) and one P(2) atom. In the seventh O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one P(2) atom. In the eighth O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the ninth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Na(2) and one P(3) atom. In the tenth O site, O(9) is bonded in a distorted trigonal planar geometry to one Na(1), one Na(2), and one P(3) atom. In the eleventh O site, O(10) is bonded in a distorted single-bond geometry to one Na(2) and one Ni(1) atom. In the twelfth O site, O(11) is bonded in a single-bond geometry to one Ni(1) atom. is represented by the CIF card [CIF]
data_Na4Ni(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.897
_cell_length_b   7.975
_cell_length_c   9.098
_cell_angle_alpha   78.335
_cell_angle_beta   72.759
_cell_angle_gamma   84.524
_symmetry_Int_Tables_number   1
_cell_volume   467.711
_cell_formula_units_Z   1
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
  Na  Na0  1  0.365  0.709  0.417  1.0
  Na  Na1  1  0.635  0.291  0.583  1.0
  Na  Na2  1  0.784  0.511  0.178  1.0
  Na  Na3  1  0.216  0.489  0.822  1.0
  Ni  Ni4  1  0.000  0.000  0.000  1.0
  P  P5  1  0.165  0.280  0.521  1.0
  P  P6  1  0.835  0.720  0.479  1.0
  P  P7  1  0.515  0.865  0.719  1.0
  P  P8  1  0.485  0.135  0.281  1.0
  P  P9  1  0.275  0.450  0.197  1.0
  P  P10  1  0.725  0.550  0.803  1.0
  O  O11  1  0.714  0.615  0.421  1.0
  O  O12  1  0.286  0.385  0.579  1.0
  O  O13  1  0.031  0.797  0.374  1.0
  O  O14  1  0.969  0.203  0.626  1.0
  O  O15  1  0.313  0.126  0.448  1.0
  O  O16  1  0.687  0.874  0.552  1.0
  O  O17  1  0.108  0.391  0.367  1.0
  O  O18  1  0.892  0.609  0.633  1.0
  O  O19  1  0.505  0.958  0.244  1.0
  O  O20  1  0.495  0.042  0.756  1.0
  O  O21  1  0.671  0.216  0.292  1.0
  O  O22  1  0.329  0.784  0.708  1.0
  O  O23  1  0.379  0.263  0.163  1.0
  O  O24  1  0.621  0.737  0.837  1.0
  O  O25  1  0.151  0.512  0.084  1.0
  O  O26  1  0.849  0.488  0.916  1.0
  O  O27  1  0.430  0.557  0.213  1.0
  O  O28  1  0.570  0.443  0.787  1.0
  O  O29  1  0.799  0.854  0.075  1.0
  O  O30  1  0.201  0.146  0.925  1.0
  O  O31  1  0.796  0.150  0.980  1.0
  O  O32  1  0.204  0.850  0.020  1.0
  O  O33  1  0.979  0.066  0.215  1.0
  O  O34  1  0.021  0.934  0.785  1.0
[/CIF]
.
The crystal structure described by Na4Ni(PO4)6 crystallizes in the triclinic P-1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(2), one O(5), one O(6), one O(9), and two equivalent O(1) atoms to form NaO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Na(1)O6 octahedra, and edges with two equivalent Na(2)O6 octahedra. In the second Na site, Na(2) is bonded to one O(1), one O(10), one O(6), one O(9), and two equivalent O(8) atoms to form distorted NaO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Na(2)O6 octahedra, and edges with two equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. Ni(1) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(12) atoms to form NiO6 octahedra that share corners with two equivalent Na(2)O6 octahedra. The corner-sharing octahedral tilt angles are 46°. There are three inequivalent P sites. In the first P site, 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  a cornercorner with one Na(2)O6 octahedra, corners with three equivalent Na(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-63°. In the second P site, P(2) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent Na(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-65°. In the third P site, P(3) is bonded to one O(4), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra, corners with three equivalent Na(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-60°. There are twelve inequivalent O sites. In the first O site, O(12) is bonded in a single-bond geometry to one Ni(1) atom. In the second O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Na(2), two equivalent Na(1), and one P(1) atom. In the third O site, O(2) is bonded in a bent 120 degrees geometry to one Na(1) and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the sixth O site, O(5) is bonded in a bent 120 degrees geometry to one Na(1) and one P(2) atom. In the seventh O site, O(6) is bonded in a 3-coordinate geometry to one Na(1), one Na(2), and one P(2) atom. In the eighth O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one P(3) atom. In the ninth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Na(2) and one P(3) atom. In the tenth O site, O(9) is bonded in a distorted trigonal planar geometry to one Na(1), one Na(2), and one P(3) atom. In the eleventh O site, O(10) is bonded in a distorted single-bond geometry to one Na(2) and one Ni(1) atom. In the twelfth O site, O(11) is bonded in a single-bond geometry to one Ni(1) atom. is represented by the CIF card [CIF]
data_Na4Ni(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.897
_cell_length_b   7.975
_cell_length_c   9.098
_cell_angle_alpha   78.335
_cell_angle_beta   72.759
_cell_angle_gamma   84.524
_symmetry_Int_Tables_number   1
_cell_volume   467.711
_cell_formula_units_Z   1
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
  Na  Na0  1  0.365  0.709  0.417  1.0
  Na  Na1  1  0.635  0.291  0.583  1.0
  Na  Na2  1  0.784  0.511  0.178  1.0
  Na  Na3  1  0.216  0.489  0.822  1.0
  Ni  Ni4  1  0.000  0.000  0.000  1.0
  P  P5  1  0.165  0.280  0.521  1.0
  P  P6  1  0.835  0.720  0.479  1.0
  P  P7  1  0.515  0.865  0.719  1.0
  P  P8  1  0.485  0.135  0.281  1.0
  P  P9  1  0.275  0.450  0.197  1.0
  P  P10  1  0.725  0.550  0.803  1.0
  O  O11  1  0.714  0.615  0.421  1.0
  O  O12  1  0.286  0.385  0.579  1.0
  O  O13  1  0.031  0.797  0.374  1.0
  O  O14  1  0.969  0.203  0.626  1.0
  O  O15  1  0.313  0.126  0.448  1.0
  O  O16  1  0.687  0.874  0.552  1.0
  O  O17  1  0.108  0.391  0.367  1.0
  O  O18  1  0.892  0.609  0.633  1.0
  O  O19  1  0.505  0.958  0.244  1.0
  O  O20  1  0.495  0.042  0.756  1.0
  O  O21  1  0.671  0.216  0.292  1.0
  O  O22  1  0.329  0.784  0.708  1.0
  O  O23  1  0.379  0.263  0.163  1.0
  O  O24  1  0.621  0.737  0.837  1.0
  O  O25  1  0.151  0.512  0.084  1.0
  O  O26  1  0.849  0.488  0.916  1.0
  O  O27  1  0.430  0.557  0.213  1.0
  O  O28  1  0.570  0.443  0.787  1.0
  O  O29  1  0.799  0.854  0.075  1.0
  O  O30  1  0.201  0.146  0.925  1.0
  O  O31  1  0.796  0.150  0.980  1.0
  O  O32  1  0.204  0.850  0.020  1.0
  O  O33  1  0.979  0.066  0.215  1.0
  O  O34  1  0.021  0.934  0.785  1.0
[/CIF]
.