The material structure described by CrNi(PO4)2 crystallizes in the monoclinic P2_1/m space group. Cr(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-51°. Ni(1) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form distorted NiO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cr(1), one Ni(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cr(1), one Ni(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(2) atom. is represented by the CIF file [CIF]
data_CrNi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.808
_cell_length_b   4.794
_cell_length_c   9.961
_cell_angle_alpha   88.982
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.289
_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
  Cr  Cr0  1  0.750  0.468  0.776  1.0
  Cr  Cr1  1  0.250  0.532  0.224  1.0
  Ni  Ni2  1  0.250  0.941  0.723  1.0
  Ni  Ni3  1  0.750  0.059  0.277  1.0
  P  P4  1  0.250  0.415  0.907  1.0
  P  P5  1  0.750  0.906  0.598  1.0
  P  P6  1  0.250  0.094  0.402  1.0
  P  P7  1  0.750  0.585  0.093  1.0
  O  O8  1  0.750  0.676  0.945  1.0
  O  O9  1  0.250  0.731  0.893  1.0
  O  O10  1  0.040  0.279  0.833  1.0
  O  O11  1  0.460  0.279  0.833  1.0
  O  O12  1  0.952  0.745  0.673  1.0
  O  O13  1  0.548  0.745  0.673  1.0
  O  O14  1  0.750  0.218  0.624  1.0
  O  O15  1  0.250  0.150  0.551  1.0
  O  O16  1  0.750  0.850  0.449  1.0
  O  O17  1  0.250  0.782  0.376  1.0
  O  O18  1  0.048  0.255  0.327  1.0
  O  O19  1  0.452  0.255  0.327  1.0
  O  O20  1  0.540  0.721  0.167  1.0
  O  O21  1  0.960  0.721  0.167  1.0
  O  O22  1  0.750  0.269  0.107  1.0
  O  O23  1  0.250  0.324  0.055  1.0
[/CIF]
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The material structure described by CrNi(PO4)2 crystallizes in the monoclinic P2_1/m space group. Cr(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-51°. Ni(1) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(4) atoms to form distorted NiO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with three equivalent Cr(1)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. In the second P site, P(2) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Ni(1) and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cr(1), one Ni(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Cr(1), one Ni(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(2) atom. is represented by the CIF file [CIF]
data_CrNi(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.808
_cell_length_b   4.794
_cell_length_c   9.961
_cell_angle_alpha   88.982
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.289
_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
  Cr  Cr0  1  0.750  0.468  0.776  1.0
  Cr  Cr1  1  0.250  0.532  0.224  1.0
  Ni  Ni2  1  0.250  0.941  0.723  1.0
  Ni  Ni3  1  0.750  0.059  0.277  1.0
  P  P4  1  0.250  0.415  0.907  1.0
  P  P5  1  0.750  0.906  0.598  1.0
  P  P6  1  0.250  0.094  0.402  1.0
  P  P7  1  0.750  0.585  0.093  1.0
  O  O8  1  0.750  0.676  0.945  1.0
  O  O9  1  0.250  0.731  0.893  1.0
  O  O10  1  0.040  0.279  0.833  1.0
  O  O11  1  0.460  0.279  0.833  1.0
  O  O12  1  0.952  0.745  0.673  1.0
  O  O13  1  0.548  0.745  0.673  1.0
  O  O14  1  0.750  0.218  0.624  1.0
  O  O15  1  0.250  0.150  0.551  1.0
  O  O16  1  0.750  0.850  0.449  1.0
  O  O17  1  0.250  0.782  0.376  1.0
  O  O18  1  0.048  0.255  0.327  1.0
  O  O19  1  0.452  0.255  0.327  1.0
  O  O20  1  0.540  0.721  0.167  1.0
  O  O21  1  0.960  0.721  0.167  1.0
  O  O22  1  0.750  0.269  0.107  1.0
  O  O23  1  0.250  0.324  0.055  1.0
[/CIF]
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