The material structure described by MnNi3O4 is Caswellsilverite-like structured and crystallizes in the orthorhombic Cmmm space group. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Ni(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with eight equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the second Ni site, Ni(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with eight equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Ni(2), and four equivalent Ni(1) atoms to form OMnNi5 octahedra that share corners with six equivalent O(1)MnNi5 octahedra, edges with four equivalent O(1)MnNi5 octahedra, and edges with eight equivalent O(2)Mn2Ni4 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to two equivalent Mn(1), two equivalent Ni(1), and two equivalent Ni(2) atoms to form OMn2Ni4 octahedra that share corners with six equivalent O(2)Mn2Ni4 octahedra, edges with four equivalent O(2)Mn2Ni4 octahedra, and edges with eight equivalent O(1)MnNi5 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_MnNi3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.247
_cell_length_b   5.247
_cell_length_c   3.049
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.581
_symmetry_Int_Tables_number   1
_cell_volume   79.078
_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
  Mn  Mn0  1  0.500  0.500  0.000  1.0
  Ni  Ni1  1  0.000  0.500  0.500  1.0
  Ni  Ni2  1  0.500  0.000  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.244  0.756  0.000  1.0
  O  O5  1  0.760  0.760  0.500  1.0
  O  O6  1  0.240  0.240  0.500  1.0
  O  O7  1  0.756  0.244  0.000  1.0
[/CIF]
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The material structure described by MnNi3O4 is Caswellsilverite-like structured and crystallizes in the orthorhombic Cmmm space group. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Ni(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with eight equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the second Ni site, Ni(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with eight equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Ni(2), and four equivalent Ni(1) atoms to form OMnNi5 octahedra that share corners with six equivalent O(1)MnNi5 octahedra, edges with four equivalent O(1)MnNi5 octahedra, and edges with eight equivalent O(2)Mn2Ni4 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to two equivalent Mn(1), two equivalent Ni(1), and two equivalent Ni(2) atoms to form OMn2Ni4 octahedra that share corners with six equivalent O(2)Mn2Ni4 octahedra, edges with four equivalent O(2)Mn2Ni4 octahedra, and edges with eight equivalent O(1)MnNi5 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_MnNi3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.247
_cell_length_b   5.247
_cell_length_c   3.049
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   109.581
_symmetry_Int_Tables_number   1
_cell_volume   79.078
_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
  Mn  Mn0  1  0.500  0.500  0.000  1.0
  Ni  Ni1  1  0.000  0.500  0.500  1.0
  Ni  Ni2  1  0.500  0.000  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  O  O4  1  0.244  0.756  0.000  1.0
  O  O5  1  0.760  0.760  0.500  1.0
  O  O6  1  0.240  0.240  0.500  1.0
  O  O7  1  0.756  0.244  0.000  1.0
[/CIF]
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