The material described by Co3Ni(PO4)4 crystallizes in the monoclinic Pm space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted CoO6 octahedra that share corners with four equivalent Co(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Co site, Co(2) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the third Co site, Co(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. Ni(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with four equivalent Co(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. There are twelve 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 trigonal planar geometry to one Co(1), one Co(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Co(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Co(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Co(2), 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 Co(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Co(1), one Co(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Co(3) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Co(2), one Ni(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(4) atom. is represented by the CIF card [CIF]
data_Co3Ni(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.784
_cell_length_b   9.910
_cell_length_c   5.831
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.726
_symmetry_Int_Tables_number   1
_cell_volume   276.442
_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
  Co  Co0  1  0.055  0.719  0.750  1.0
  Co  Co1  1  0.446  0.222  0.750  1.0
  Co  Co2  1  0.554  0.780  0.250  1.0
  Ni  Ni3  1  0.955  0.276  0.250  1.0
  P  P4  1  0.086  0.595  0.250  1.0
  P  P5  1  0.418  0.096  0.250  1.0
  P  P6  1  0.588  0.905  0.750  1.0
  P  P7  1  0.904  0.403  0.750  1.0
  O  O8  1  0.164  0.447  0.250  1.0
  O  O9  1  0.234  0.673  0.045  1.0
  O  O10  1  0.234  0.673  0.455  1.0
  O  O11  1  0.223  0.387  0.750  1.0
  O  O12  1  0.270  0.885  0.750  1.0
  O  O13  1  0.276  0.170  0.042  1.0
  O  O14  1  0.276  0.170  0.458  1.0
  O  O15  1  0.336  0.945  0.250  1.0
  O  O16  1  0.666  0.054  0.750  1.0
  O  O17  1  0.732  0.829  0.544  1.0
  O  O18  1  0.732  0.829  0.956  1.0
  O  O19  1  0.735  0.108  0.250  1.0
  O  O20  1  0.769  0.616  0.250  1.0
  O  O21  1  0.754  0.331  0.545  1.0
  O  O22  1  0.754  0.331  0.955  1.0
  O  O23  1  0.839  0.556  0.750  1.0
[/CIF]
.
The material described by Co3Ni(PO4)4 crystallizes in the monoclinic Pm space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted CoO6 octahedra that share corners with four equivalent Co(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Co site, Co(2) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the third Co site, Co(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. Ni(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with four equivalent Co(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. There are twelve 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 trigonal planar geometry to one Co(1), one Co(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Co(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Co(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Co(2), 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 Co(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Co(1), one Co(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Co(3) and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Co(2), one Ni(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(4) atom. is represented by the CIF card [CIF]
data_Co3Ni(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.784
_cell_length_b   9.910
_cell_length_c   5.831
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.726
_symmetry_Int_Tables_number   1
_cell_volume   276.442
_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
  Co  Co0  1  0.055  0.719  0.750  1.0
  Co  Co1  1  0.446  0.222  0.750  1.0
  Co  Co2  1  0.554  0.780  0.250  1.0
  Ni  Ni3  1  0.955  0.276  0.250  1.0
  P  P4  1  0.086  0.595  0.250  1.0
  P  P5  1  0.418  0.096  0.250  1.0
  P  P6  1  0.588  0.905  0.750  1.0
  P  P7  1  0.904  0.403  0.750  1.0
  O  O8  1  0.164  0.447  0.250  1.0
  O  O9  1  0.234  0.673  0.045  1.0
  O  O10  1  0.234  0.673  0.455  1.0
  O  O11  1  0.223  0.387  0.750  1.0
  O  O12  1  0.270  0.885  0.750  1.0
  O  O13  1  0.276  0.170  0.042  1.0
  O  O14  1  0.276  0.170  0.458  1.0
  O  O15  1  0.336  0.945  0.250  1.0
  O  O16  1  0.666  0.054  0.750  1.0
  O  O17  1  0.732  0.829  0.544  1.0
  O  O18  1  0.732  0.829  0.956  1.0
  O  O19  1  0.735  0.108  0.250  1.0
  O  O20  1  0.769  0.616  0.250  1.0
  O  O21  1  0.754  0.331  0.545  1.0
  O  O22  1  0.754  0.331  0.955  1.0
  O  O23  1  0.839  0.556  0.750  1.0
[/CIF]
.