The crystal structure described by LiMnNiO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Mn(1), and one Ni(1) atom. In the second O site, O(2) is bonded to one Li(1), one Mn(1), and two equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing OLiMnNi2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.869
_cell_length_b   5.869
_cell_length_c   5.869
_cell_angle_alpha   121.459
_cell_angle_beta   121.306
_cell_angle_gamma   87.622
_symmetry_Int_Tables_number   1
_cell_volume   139.831
_cell_formula_units_Z   2
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
  Li  Li0  1  0.119  0.869  0.250  1.0
  Li  Li1  1  0.881  0.131  0.750  1.0
  Mn  Mn2  1  0.000  0.500  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.500  0.000  0.000  1.0
  O  O6  1  0.252  0.279  0.527  1.0
  O  O7  1  0.258  0.729  0.529  1.0
  O  O8  1  0.700  0.729  0.971  1.0
  O  O9  1  0.252  0.724  0.973  1.0
  O  O10  1  0.748  0.276  0.027  1.0
  O  O11  1  0.742  0.271  0.471  1.0
  O  O12  1  0.300  0.271  0.029  1.0
  O  O13  1  0.748  0.721  0.473  1.0
[/CIF]
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The crystal structure described by LiMnNiO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with six equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Mn(1), and one Ni(1) atom. In the second O site, O(2) is bonded to one Li(1), one Mn(1), and two equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing OLiMnNi2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMnNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.869
_cell_length_b   5.869
_cell_length_c   5.869
_cell_angle_alpha   121.459
_cell_angle_beta   121.306
_cell_angle_gamma   87.622
_symmetry_Int_Tables_number   1
_cell_volume   139.831
_cell_formula_units_Z   2
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
  Li  Li0  1  0.119  0.869  0.250  1.0
  Li  Li1  1  0.881  0.131  0.750  1.0
  Mn  Mn2  1  0.000  0.500  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  Ni  Ni4  1  0.500  0.500  0.500  1.0
  Ni  Ni5  1  0.500  0.000  0.000  1.0
  O  O6  1  0.252  0.279  0.527  1.0
  O  O7  1  0.258  0.729  0.529  1.0
  O  O8  1  0.700  0.729  0.971  1.0
  O  O9  1  0.252  0.724  0.973  1.0
  O  O10  1  0.748  0.276  0.027  1.0
  O  O11  1  0.742  0.271  0.471  1.0
  O  O12  1  0.300  0.271  0.029  1.0
  O  O13  1  0.748  0.721  0.473  1.0
[/CIF]
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