The material described by Li2Mn(NiO3)2 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share edges with six equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share edges with three equivalent Mn(1)O6 octahedra and edges with three equivalent Ni(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Mn(1), and two equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing OLi2MnNi2 square pyramids. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Mn(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.926
_cell_length_b   4.926
_cell_length_c   9.997
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.178
_symmetry_Int_Tables_number   1
_cell_volume   215.786
_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  0.632  0.132  0.750  1.0
  Li  Li1  1  0.868  0.368  0.250  1.0
  Li  Li2  1  0.132  0.632  0.750  1.0
  Li  Li3  1  0.368  0.868  0.250  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.500  0.500  0.500  1.0
  Ni  Ni6  1  0.835  0.165  0.500  1.0
  Ni  Ni7  1  0.665  0.335  0.000  1.0
  Ni  Ni8  1  0.335  0.665  0.000  1.0
  Ni  Ni9  1  0.165  0.835  0.500  1.0
  O  O10  1  0.691  0.031  0.108  1.0
  O  O11  1  0.309  0.969  0.892  1.0
  O  O12  1  0.531  0.191  0.392  1.0
  O  O13  1  0.809  0.469  0.608  1.0
  O  O14  1  0.169  0.169  0.595  1.0
  O  O15  1  0.331  0.331  0.095  1.0
  O  O16  1  0.669  0.669  0.905  1.0
  O  O17  1  0.969  0.309  0.892  1.0
  O  O18  1  0.831  0.831  0.405  1.0
  O  O19  1  0.191  0.531  0.392  1.0
  O  O20  1  0.469  0.809  0.608  1.0
  O  O21  1  0.031  0.691  0.108  1.0
[/CIF]
.
The material described by Li2Mn(NiO3)2 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to four equivalent O(1) atoms. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share edges with six equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share edges with three equivalent Mn(1)O6 octahedra and edges with three equivalent Ni(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Mn(1), and two equivalent Ni(1) atoms to form a mixture of distorted corner and edge-sharing OLi2MnNi2 square pyramids. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Ni(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Mn(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.926
_cell_length_b   4.926
_cell_length_c   9.997
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.178
_symmetry_Int_Tables_number   1
_cell_volume   215.786
_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  0.632  0.132  0.750  1.0
  Li  Li1  1  0.868  0.368  0.250  1.0
  Li  Li2  1  0.132  0.632  0.750  1.0
  Li  Li3  1  0.368  0.868  0.250  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.500  0.500  0.500  1.0
  Ni  Ni6  1  0.835  0.165  0.500  1.0
  Ni  Ni7  1  0.665  0.335  0.000  1.0
  Ni  Ni8  1  0.335  0.665  0.000  1.0
  Ni  Ni9  1  0.165  0.835  0.500  1.0
  O  O10  1  0.691  0.031  0.108  1.0
  O  O11  1  0.309  0.969  0.892  1.0
  O  O12  1  0.531  0.191  0.392  1.0
  O  O13  1  0.809  0.469  0.608  1.0
  O  O14  1  0.169  0.169  0.595  1.0
  O  O15  1  0.331  0.331  0.095  1.0
  O  O16  1  0.669  0.669  0.905  1.0
  O  O17  1  0.969  0.309  0.892  1.0
  O  O18  1  0.831  0.831  0.405  1.0
  O  O19  1  0.191  0.531  0.392  1.0
  O  O20  1  0.469  0.809  0.608  1.0
  O  O21  1  0.031  0.691  0.108  1.0
[/CIF]
.