The material described by MgNi2(MoO4)2 crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and faces with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the second Mo site, Mo(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-50°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, and edges with two 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 rectangular see-saw-like geometry to one Mg(1), one Mo(2), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(1), one Ni(1), and one Ni(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mo(1), one Mo(2), and one Ni(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(1), one Mo(2), and one Ni(1) atom. is represented by the CIF file [CIF]
data_MgNi2(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.858
_cell_length_b   5.099
_cell_length_c   5.895
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   88.482
_symmetry_Int_Tables_number   1
_cell_volume   145.989
_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  0.000  0.250  0.615  1.0
  Ni  Ni1  1  0.500  0.250  0.649  1.0
  Ni  Ni2  1  0.500  0.750  0.355  1.0
  Mo  Mo3  1  0.000  0.250  0.151  1.0
  Mo  Mo4  1  0.000  0.750  0.847  1.0
  O  O5  1  0.750  0.922  0.637  1.0
  O  O6  1  0.250  0.578  0.637  1.0
  O  O7  1  0.256  0.097  0.380  1.0
  O  O8  1  0.744  0.403  0.380  1.0
  O  O9  1  0.787  0.933  0.114  1.0
  O  O10  1  0.213  0.567  0.114  1.0
  O  O11  1  0.220  0.079  0.873  1.0
  O  O12  1  0.780  0.421  0.873  1.0
[/CIF]
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The material described by MgNi2(MoO4)2 crystallizes in the monoclinic P2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MgO6 octahedra that share corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and faces with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-54°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the second Mo site, Mo(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with four equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-50°. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent Mo(1)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, and edges with two 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 rectangular see-saw-like geometry to one Mg(1), one Mo(2), one Ni(1), and one Ni(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(1), one Ni(1), and one Ni(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mo(1), one Mo(2), and one Ni(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(1), one Mo(2), and one Ni(1) atom. is represented by the CIF file [CIF]
data_MgNi2(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.858
_cell_length_b   5.099
_cell_length_c   5.895
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   88.482
_symmetry_Int_Tables_number   1
_cell_volume   145.989
_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  0.000  0.250  0.615  1.0
  Ni  Ni1  1  0.500  0.250  0.649  1.0
  Ni  Ni2  1  0.500  0.750  0.355  1.0
  Mo  Mo3  1  0.000  0.250  0.151  1.0
  Mo  Mo4  1  0.000  0.750  0.847  1.0
  O  O5  1  0.750  0.922  0.637  1.0
  O  O6  1  0.250  0.578  0.637  1.0
  O  O7  1  0.256  0.097  0.380  1.0
  O  O8  1  0.744  0.403  0.380  1.0
  O  O9  1  0.787  0.933  0.114  1.0
  O  O10  1  0.213  0.567  0.114  1.0
  O  O11  1  0.220  0.079  0.873  1.0
  O  O12  1  0.780  0.421  0.873  1.0
[/CIF]
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