The compound described by MgNi2(PO4)2 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. Ni(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)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 two equivalent O(2) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. There are four 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(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ni(1) and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Ni(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ni(1), and one P(1) atom. is represented by the CIF file [CIF]
data_MgNi2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.906
_cell_length_b   4.906
_cell_length_c   6.304
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   66.827
_symmetry_Int_Tables_number   1
_cell_volume   139.512
_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
  Mg  Mg0  1  0.322  0.322  0.750  1.0
  Ni  Ni1  1  0.994  0.994  0.484  1.0
  Ni  Ni2  1  0.994  0.994  0.016  1.0
  P  P3  1  0.354  0.354  0.250  1.0
  P  P4  1  0.655  0.655  0.750  1.0
  O  O5  1  0.756  0.756  0.550  1.0
  O  O6  1  0.699  0.226  0.250  1.0
  O  O7  1  0.226  0.699  0.250  1.0
  O  O8  1  0.300  0.761  0.750  1.0
  O  O9  1  0.756  0.756  0.950  1.0
  O  O10  1  0.245  0.245  0.453  1.0
  O  O11  1  0.761  0.300  0.750  1.0
  O  O12  1  0.245  0.245  0.047  1.0
[/CIF]
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The compound described by MgNi2(PO4)2 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. Ni(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)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 two equivalent O(2) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. There are four 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(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ni(1) and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Ni(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ni(1), and one P(1) atom. is represented by the CIF file [CIF]
data_MgNi2(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.906
_cell_length_b   4.906
_cell_length_c   6.304
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   66.827
_symmetry_Int_Tables_number   1
_cell_volume   139.512
_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
  Mg  Mg0  1  0.322  0.322  0.750  1.0
  Ni  Ni1  1  0.994  0.994  0.484  1.0
  Ni  Ni2  1  0.994  0.994  0.016  1.0
  P  P3  1  0.354  0.354  0.250  1.0
  P  P4  1  0.655  0.655  0.750  1.0
  O  O5  1  0.756  0.756  0.550  1.0
  O  O6  1  0.699  0.226  0.250  1.0
  O  O7  1  0.226  0.699  0.250  1.0
  O  O8  1  0.300  0.761  0.750  1.0
  O  O9  1  0.756  0.756  0.950  1.0
  O  O10  1  0.245  0.245  0.453  1.0
  O  O11  1  0.761  0.300  0.750  1.0
  O  O12  1  0.245  0.245  0.047  1.0
[/CIF]
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