The crystal structure described by NiCd(PO3)4 crystallizes in the monoclinic C2/c space group. Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Cd(1)O6 octahedra. Cd(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CdO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Cd(1)O6 octahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-61°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cd(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-55°. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to one Ni(1), one Cd(1), and one P(2) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to one Ni(1), one Cd(1), and one P(1) atom. In the third O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one Cd(1) and one P(1) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdNi(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.357
_cell_length_b   7.357
_cell_length_c   9.731
_cell_angle_alpha   67.679
_cell_angle_beta   67.679
_cell_angle_gamma   71.509
_symmetry_Int_Tables_number   1
_cell_volume   441.420
_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
  Cd  Cd0  1  0.449  0.551  0.250  1.0
  Cd  Cd1  1  0.551  0.449  0.750  1.0
  Ni  Ni2  1  0.500  0.000  0.000  1.0
  Ni  Ni3  1  0.000  0.500  0.500  1.0
  P  P4  1  0.770  0.216  0.473  1.0
  P  P5  1  0.230  0.784  0.527  1.0
  P  P6  1  0.784  0.230  0.027  1.0
  P  P7  1  0.216  0.770  0.973  1.0
  P  P8  1  0.806  0.808  0.201  1.0
  P  P9  1  0.194  0.192  0.799  1.0
  P  P10  1  0.192  0.194  0.299  1.0
  P  P11  1  0.808  0.806  0.701  1.0
  O  O12  1  0.588  0.316  0.423  1.0
  O  O13  1  0.412  0.684  0.577  1.0
  O  O14  1  0.684  0.412  0.077  1.0
  O  O15  1  0.316  0.588  0.923  1.0
  O  O16  1  0.315  0.156  0.151  1.0
  O  O17  1  0.685  0.844  0.849  1.0
  O  O18  1  0.844  0.685  0.349  1.0
  O  O19  1  0.156  0.315  0.651  1.0
  O  O20  1  0.619  0.801  0.176  1.0
  O  O21  1  0.381  0.199  0.824  1.0
  O  O22  1  0.199  0.381  0.324  1.0
  O  O23  1  0.801  0.619  0.676  1.0
  O  O24  1  0.296  0.817  0.074  1.0
  O  O25  1  0.704  0.183  0.926  1.0
  O  O26  1  0.183  0.704  0.426  1.0
  O  O27  1  0.817  0.296  0.574  1.0
  O  O28  1  0.798  0.038  0.175  1.0
  O  O29  1  0.202  0.962  0.825  1.0
  O  O30  1  0.962  0.202  0.325  1.0
  O  O31  1  0.038  0.798  0.675  1.0
  O  O32  1  0.758  0.986  0.556  1.0
  O  O33  1  0.242  0.014  0.444  1.0
  O  O34  1  0.014  0.242  0.944  1.0
  O  O35  1  0.986  0.758  0.056  1.0
[/CIF]
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The crystal structure described by NiCd(PO3)4 crystallizes in the monoclinic C2/c space group. Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Cd(1)O6 octahedra. Cd(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CdO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Cd(1)O6 octahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-61°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cd(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 21-55°. There are six inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to one Ni(1), one Cd(1), and one P(2) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to one Ni(1), one Cd(1), and one P(1) atom. In the third O site, O(5) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fourth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(1) is bonded in a bent 150 degrees geometry to one Cd(1) and one P(1) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CdNi(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.357
_cell_length_b   7.357
_cell_length_c   9.731
_cell_angle_alpha   67.679
_cell_angle_beta   67.679
_cell_angle_gamma   71.509
_symmetry_Int_Tables_number   1
_cell_volume   441.420
_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
  Cd  Cd0  1  0.449  0.551  0.250  1.0
  Cd  Cd1  1  0.551  0.449  0.750  1.0
  Ni  Ni2  1  0.500  0.000  0.000  1.0
  Ni  Ni3  1  0.000  0.500  0.500  1.0
  P  P4  1  0.770  0.216  0.473  1.0
  P  P5  1  0.230  0.784  0.527  1.0
  P  P6  1  0.784  0.230  0.027  1.0
  P  P7  1  0.216  0.770  0.973  1.0
  P  P8  1  0.806  0.808  0.201  1.0
  P  P9  1  0.194  0.192  0.799  1.0
  P  P10  1  0.192  0.194  0.299  1.0
  P  P11  1  0.808  0.806  0.701  1.0
  O  O12  1  0.588  0.316  0.423  1.0
  O  O13  1  0.412  0.684  0.577  1.0
  O  O14  1  0.684  0.412  0.077  1.0
  O  O15  1  0.316  0.588  0.923  1.0
  O  O16  1  0.315  0.156  0.151  1.0
  O  O17  1  0.685  0.844  0.849  1.0
  O  O18  1  0.844  0.685  0.349  1.0
  O  O19  1  0.156  0.315  0.651  1.0
  O  O20  1  0.619  0.801  0.176  1.0
  O  O21  1  0.381  0.199  0.824  1.0
  O  O22  1  0.199  0.381  0.324  1.0
  O  O23  1  0.801  0.619  0.676  1.0
  O  O24  1  0.296  0.817  0.074  1.0
  O  O25  1  0.704  0.183  0.926  1.0
  O  O26  1  0.183  0.704  0.426  1.0
  O  O27  1  0.817  0.296  0.574  1.0
  O  O28  1  0.798  0.038  0.175  1.0
  O  O29  1  0.202  0.962  0.825  1.0
  O  O30  1  0.962  0.202  0.325  1.0
  O  O31  1  0.038  0.798  0.675  1.0
  O  O32  1  0.758  0.986  0.556  1.0
  O  O33  1  0.242  0.014  0.444  1.0
  O  O34  1  0.014  0.242  0.944  1.0
  O  O35  1  0.986  0.758  0.056  1.0
[/CIF]
.