The crystal structure described by MgNi2InSbO6 crystallizes in the trigonal R3 space group. Mg(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MgO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, edges with three equivalent In(1)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. In the second Ni site, Ni(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form NiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent In(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-50°. In(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form InO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. Sb(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(1), one Ni(2), one In(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ni(2), one In(1), and one Sb(1) atom. is represented by the CIF card [CIF]
data_MgInNi2SbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.412
_cell_length_b   5.412
_cell_length_c   6.195
_cell_angle_alpha   64.093
_cell_angle_beta   64.096
_cell_angle_gamma   60.005
_symmetry_Int_Tables_number   1
_cell_volume   135.677
_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  0.154  0.154  0.539  1.0
  In  In1  1  0.795  0.795  0.617  1.0
  Ni  Ni2  1  0.541  0.541  0.377  1.0
  Ni  Ni3  1  0.975  0.975  0.076  1.0
  Sb  Sb4  1  0.339  0.339  0.984  1.0
  O  O5  1  0.191  0.896  0.332  1.0
  O  O6  1  0.896  0.581  0.333  1.0
  O  O7  1  0.581  0.191  0.332  1.0
  O  O8  1  0.760  0.081  0.799  1.0
  O  O9  1  0.082  0.360  0.799  1.0
  O  O10  1  0.360  0.760  0.799  1.0
[/CIF]
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The crystal structure described by MgNi2InSbO6 crystallizes in the trigonal R3 space group. Mg(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MgO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, edges with three equivalent In(1)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. In the second Ni site, Ni(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form NiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent In(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-50°. In(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form InO6 octahedra that share corners with three equivalent Ni(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. Sb(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Mg(1), one Ni(1), one Ni(2), one In(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ni(2), one In(1), and one Sb(1) atom. is represented by the CIF card [CIF]
data_MgInNi2SbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.412
_cell_length_b   5.412
_cell_length_c   6.195
_cell_angle_alpha   64.093
_cell_angle_beta   64.096
_cell_angle_gamma   60.005
_symmetry_Int_Tables_number   1
_cell_volume   135.677
_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  0.154  0.154  0.539  1.0
  In  In1  1  0.795  0.795  0.617  1.0
  Ni  Ni2  1  0.541  0.541  0.377  1.0
  Ni  Ni3  1  0.975  0.975  0.076  1.0
  Sb  Sb4  1  0.339  0.339  0.984  1.0
  O  O5  1  0.191  0.896  0.332  1.0
  O  O6  1  0.896  0.581  0.333  1.0
  O  O7  1  0.581  0.191  0.332  1.0
  O  O8  1  0.760  0.081  0.799  1.0
  O  O9  1  0.082  0.360  0.799  1.0
  O  O10  1  0.360  0.760  0.799  1.0
[/CIF]
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