The material described by Li2MnSnO4 crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to four O(2,2) atoms. In the second Li site, Li(2) is bonded to two O(2,2) and four O(1,1) atoms to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. Mn(1) is bonded to two O(2,2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. Sn(1) is bonded to two O(1,1) and four O(2,2) atoms to form SnO6 octahedra that share corners with four equivalent Sn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(2), two equivalent Mn(1), and one Sn(1) atom to form distorted OLi2Mn2Sn square pyramids that share corners with four O(2,2)Li3MnSn2 octahedra; corners with five O(1,1)Li2Mn2Sn square pyramids; edges with four O(2,2)Li3MnSn2 octahedra; and edges with four equivalent O(1)Li2Mn2Sn square pyramids. The corner-sharing octahedral tilt angles are 81°. In the second O site, O(1) is bonded to two equivalent Li(2), two equivalent Mn(1), and one Sn(1) atom to form distorted OLi2Mn2Sn square pyramids that share corners with four O(2,2)Li3MnSn2 octahedra; corners with five O(1,1)Li2Mn2Sn square pyramids; edges with four O(2,2)Li3MnSn2 octahedra; and edges with four equivalent O(1)Li2Mn2Sn square pyramids. The corner-sharing octahedral tilt angles are 81°. In the third O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Mn(1), and two equivalent Sn(1) atoms to form OLi3MnSn2 octahedra that share corners with six O(2,2)Li3MnSn2 octahedra; corners with four equivalent O(1)Li2Mn2Sn square pyramids; edges with four equivalent O(2)Li3MnSn2 octahedra; and edges with four O(1,1)Li2Mn2Sn square pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Mn(1), and two equivalent Sn(1) atoms to form OLi3MnSn2 octahedra that share corners with six O(2,2)Li3MnSn2 octahedra; corners with four equivalent O(1)Li2Mn2Sn square pyramids; edges with four equivalent O(2)Li3MnSn2 octahedra; and edges with four O(1,1)Li2Mn2Sn square pyramids. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF card [CIF]
data_Li2MnSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.273
_cell_length_b   4.273
_cell_length_c   5.617
_cell_angle_alpha   112.356
_cell_angle_beta   112.357
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   86.447
_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
  Li  Li0  1  0.750  0.250  0.500  1.0
  Li  Li1  1  0.500  0.500  1.000  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.466  0.966  0.932  1.0
  O  O4  1  0.034  0.534  0.068  1.0
  O  O5  1  0.756  0.756  0.512  1.0
  O  O6  1  0.244  0.244  0.488  1.0
  Sn  Sn7  1  0.250  0.750  0.500  1.0
[/CIF]
.
The material described by Li2MnSnO4 crystallizes in the tetragonal I-4m2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a rectangular see-saw-like geometry to four O(2,2) atoms. In the second Li site, Li(2) is bonded to two O(2,2) and four O(1,1) atoms to form LiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. Mn(1) is bonded to two O(2,2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. Sn(1) is bonded to two O(1,1) and four O(2,2) atoms to form SnO6 octahedra that share corners with four equivalent Sn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(2), two equivalent Mn(1), and one Sn(1) atom to form distorted OLi2Mn2Sn square pyramids that share corners with four O(2,2)Li3MnSn2 octahedra; corners with five O(1,1)Li2Mn2Sn square pyramids; edges with four O(2,2)Li3MnSn2 octahedra; and edges with four equivalent O(1)Li2Mn2Sn square pyramids. The corner-sharing octahedral tilt angles are 81°. In the second O site, O(1) is bonded to two equivalent Li(2), two equivalent Mn(1), and one Sn(1) atom to form distorted OLi2Mn2Sn square pyramids that share corners with four O(2,2)Li3MnSn2 octahedra; corners with five O(1,1)Li2Mn2Sn square pyramids; edges with four O(2,2)Li3MnSn2 octahedra; and edges with four equivalent O(1)Li2Mn2Sn square pyramids. The corner-sharing octahedral tilt angles are 81°. In the third O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Mn(1), and two equivalent Sn(1) atoms to form OLi3MnSn2 octahedra that share corners with six O(2,2)Li3MnSn2 octahedra; corners with four equivalent O(1)Li2Mn2Sn square pyramids; edges with four equivalent O(2)Li3MnSn2 octahedra; and edges with four O(1,1)Li2Mn2Sn square pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the fourth O site, O(2) is bonded to one Li(2), two equivalent Li(1), one Mn(1), and two equivalent Sn(1) atoms to form OLi3MnSn2 octahedra that share corners with six O(2,2)Li3MnSn2 octahedra; corners with four equivalent O(1)Li2Mn2Sn square pyramids; edges with four equivalent O(2)Li3MnSn2 octahedra; and edges with four O(1,1)Li2Mn2Sn square pyramids. The corner-sharing octahedral tilt angles range from 0-3°. is represented by the CIF card [CIF]
data_Li2MnSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.273
_cell_length_b   4.273
_cell_length_c   5.617
_cell_angle_alpha   112.356
_cell_angle_beta   112.357
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   86.447
_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
  Li  Li0  1  0.750  0.250  0.500  1.0
  Li  Li1  1  0.500  0.500  1.000  1.0
  Mn  Mn2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.466  0.966  0.932  1.0
  O  O4  1  0.034  0.534  0.068  1.0
  O  O5  1  0.756  0.756  0.512  1.0
  O  O6  1  0.244  0.244  0.488  1.0
  Sn  Sn7  1  0.250  0.750  0.500  1.0
[/CIF]
.