The structure described by Mn2NiO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm 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 two equivalent Ni(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with five equivalent Ni(1)O6 octahedra, and edges with seven equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with ten equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Mn(1) and two equivalent Ni(1) atoms to form a mixture of corner and edge-sharing OMn4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to four equivalent Mn(1) and two equivalent Ni(1) atoms to form a mixture of corner and edge-sharing OMn4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF file [CIF]
data_Mn2NiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.386
_cell_length_b   5.386
_cell_length_c   5.386
_cell_angle_alpha   146.314
_cell_angle_beta   131.606
_cell_angle_gamma   60.258
_symmetry_Int_Tables_number   1
_cell_volume   64.187
_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  0.665  0.665  0.000  1.0
  Mn  Mn1  1  0.335  0.335  0.000  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.158  0.658  0.500  1.0
  O  O5  1  0.842  0.342  0.500  1.0
[/CIF]
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The structure described by Mn2NiO3 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm 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 two equivalent Ni(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with five equivalent Ni(1)O6 octahedra, and edges with seven equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with ten equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Mn(1) and two equivalent Ni(1) atoms to form a mixture of corner and edge-sharing OMn4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to four equivalent Mn(1) and two equivalent Ni(1) atoms to form a mixture of corner and edge-sharing OMn4Ni2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF file [CIF]
data_Mn2NiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.386
_cell_length_b   5.386
_cell_length_c   5.386
_cell_angle_alpha   146.314
_cell_angle_beta   131.606
_cell_angle_gamma   60.258
_symmetry_Int_Tables_number   1
_cell_volume   64.187
_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  0.665  0.665  0.000  1.0
  Mn  Mn1  1  0.335  0.335  0.000  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.158  0.658  0.500  1.0
  O  O5  1  0.842  0.342  0.500  1.0
[/CIF]
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