The structure described by MnNi3O4 is Caswellsilverite-like structured and crystallizes in the orthorhombic Pmmm space group. Mn(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four 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 0-3°. 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(3) 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 range from 0-3°. 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 two equivalent Ni(2)O6 octahedra, corners with four 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 0-3°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ni(2) and four equivalent Ni(1) atoms to form ONi6 octahedra that share corners with two equivalent O(1)Ni6 octahedra, corners with four equivalent O(3)Mn2Ni4 octahedra, edges with two equivalent O(3)Mn2Ni4 octahedra, edges with two equivalent O(1)Ni6 octahedra, and edges with eight equivalent O(2)Mn2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. 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, edges with four equivalent O(3)Mn2Ni4 octahedra, and edges with four equivalent O(1)Ni6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to two equivalent Mn(1) and four equivalent Ni(1) atoms to form OMn2Ni4 octahedra that share corners with two equivalent O(3)Mn2Ni4 octahedra, corners with four equivalent O(1)Ni6 octahedra, edges with two equivalent O(3)Mn2Ni4 octahedra, edges with two equivalent O(1)Ni6 octahedra, and edges with eight equivalent O(2)Mn2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_MnNi3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.040
_cell_length_b   4.302
_cell_length_c   6.061
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   79.245
_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  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.254  1.0
  Ni  Ni2  1  0.000  0.000  0.500  1.0
  Ni  Ni3  1  0.500  0.500  0.746  1.0
  O  O4  1  0.000  0.500  0.500  1.0
  O  O5  1  0.500  0.000  0.737  1.0
  O  O6  1  0.000  0.500  0.000  1.0
  O  O7  1  0.500  0.000  0.263  1.0
[/CIF]
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The structure described by MnNi3O4 is Caswellsilverite-like structured and crystallizes in the orthorhombic Pmmm space group. Mn(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four 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 0-3°. 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(3) 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 range from 0-3°. 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 two equivalent Ni(2)O6 octahedra, corners with four 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 0-3°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ni(2) and four equivalent Ni(1) atoms to form ONi6 octahedra that share corners with two equivalent O(1)Ni6 octahedra, corners with four equivalent O(3)Mn2Ni4 octahedra, edges with two equivalent O(3)Mn2Ni4 octahedra, edges with two equivalent O(1)Ni6 octahedra, and edges with eight equivalent O(2)Mn2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. 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, edges with four equivalent O(3)Mn2Ni4 octahedra, and edges with four equivalent O(1)Ni6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to two equivalent Mn(1) and four equivalent Ni(1) atoms to form OMn2Ni4 octahedra that share corners with two equivalent O(3)Mn2Ni4 octahedra, corners with four equivalent O(1)Ni6 octahedra, edges with two equivalent O(3)Mn2Ni4 octahedra, edges with two equivalent O(1)Ni6 octahedra, and edges with eight equivalent O(2)Mn2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_MnNi3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.040
_cell_length_b   4.302
_cell_length_c   6.061
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   79.245
_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  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.254  1.0
  Ni  Ni2  1  0.000  0.000  0.500  1.0
  Ni  Ni3  1  0.500  0.500  0.746  1.0
  O  O4  1  0.000  0.500  0.500  1.0
  O  O5  1  0.500  0.000  0.737  1.0
  O  O6  1  0.000  0.500  0.000  1.0
  O  O7  1  0.500  0.000  0.263  1.0
[/CIF]
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