The material structure described by Li2Mn3SnO8 is Spinel-derived structured and crystallizes in the trigonal R3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and corners with nine equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. In the second Li site, Li(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form LiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Sn(1)O4 tetrahedra, and edges with six equivalent Mn(1)O6 octahedra. Mn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Sn(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. Sn(1) is bonded to one O(4) and three equivalent O(3) atoms to form SnO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and corners with nine equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1) and three equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded to one Li(2), two equivalent Mn(1), and one Sn(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2Sn tetrahedra. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Mn(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_Li2Mn3SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.989
_cell_length_b   5.989
_cell_length_c   5.989
_cell_angle_alpha   60.850
_cell_angle_beta   60.850
_cell_angle_gamma   60.850
_symmetry_Int_Tables_number   1
_cell_volume   154.802
_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  0.882  0.882  0.882  1.0
  Li  Li1  1  0.504  0.504  0.504  1.0
  Mn  Mn2  1  0.986  0.504  0.504  1.0
  Mn  Mn3  1  0.504  0.986  0.504  1.0
  Mn  Mn4  1  0.504  0.504  0.986  1.0
  Sn  Sn5  1  0.112  0.112  0.112  1.0
  O  O6  1  0.746  0.746  0.746  1.0
  O  O7  1  0.749  0.749  0.294  1.0
  O  O8  1  0.749  0.294  0.749  1.0
  O  O9  1  0.294  0.749  0.749  1.0
  O  O10  1  0.708  0.256  0.256  1.0
  O  O11  1  0.256  0.708  0.256  1.0
  O  O12  1  0.256  0.256  0.708  1.0
  O  O13  1  0.250  0.250  0.250  1.0
[/CIF]
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The material structure described by Li2Mn3SnO8 is Spinel-derived structured and crystallizes in the trigonal R3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and corners with nine equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-61°. In the second Li site, Li(2) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form LiO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Sn(1)O4 tetrahedra, and edges with six equivalent Mn(1)O6 octahedra. Mn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Sn(1)O4 tetrahedra, edges with two equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. Sn(1) is bonded to one O(4) and three equivalent O(3) atoms to form SnO4 tetrahedra that share corners with three equivalent Li(2)O6 octahedra and corners with nine equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1) and three equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded to one Li(2), two equivalent Mn(1), and one Sn(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2Sn tetrahedra. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Mn(1) and one Sn(1) atom. is represented by the CIF card [CIF]
data_Li2Mn3SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.989
_cell_length_b   5.989
_cell_length_c   5.989
_cell_angle_alpha   60.850
_cell_angle_beta   60.850
_cell_angle_gamma   60.850
_symmetry_Int_Tables_number   1
_cell_volume   154.802
_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  0.882  0.882  0.882  1.0
  Li  Li1  1  0.504  0.504  0.504  1.0
  Mn  Mn2  1  0.986  0.504  0.504  1.0
  Mn  Mn3  1  0.504  0.986  0.504  1.0
  Mn  Mn4  1  0.504  0.504  0.986  1.0
  Sn  Sn5  1  0.112  0.112  0.112  1.0
  O  O6  1  0.746  0.746  0.746  1.0
  O  O7  1  0.749  0.749  0.294  1.0
  O  O8  1  0.749  0.294  0.749  1.0
  O  O9  1  0.294  0.749  0.749  1.0
  O  O10  1  0.708  0.256  0.256  1.0
  O  O11  1  0.256  0.708  0.256  1.0
  O  O12  1  0.256  0.256  0.708  1.0
  O  O13  1  0.250  0.250  0.250  1.0
[/CIF]
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