The structure described by Li1MnSiO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. 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 Si(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Mn(1), and one Si(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_LiMnSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.676
_cell_length_b   5.676
_cell_length_c   5.681
_cell_angle_alpha   93.249
_cell_angle_beta   119.507
_cell_angle_gamma   116.766
_symmetry_Int_Tables_number   1
_cell_volume   132.770
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  Mn  Mn2  1  1.000  1.000  1.000  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.985  0.243  0.728  1.0
  O  O5  1  0.487  0.757  0.744  1.0
  O  O6  1  0.513  0.242  0.256  1.0
  O  O7  1  0.015  0.758  0.272  1.0
  O  O8  1  0.517  0.763  0.246  1.0
  O  O9  1  0.983  0.228  0.246  1.0
  O  O10  1  0.017  0.771  0.754  1.0
  O  O11  1  0.483  0.237  0.754  1.0
  Si  Si12  1  0.750  0.116  0.366  1.0
  Si  Si13  1  0.250  0.884  0.634  1.0
[/CIF]
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The structure described by Li1MnSiO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Mn(1)O6 octahedra. 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 Si(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Mn(1), and one Si(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_LiMnSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.676
_cell_length_b   5.676
_cell_length_c   5.681
_cell_angle_alpha   93.249
_cell_angle_beta   119.507
_cell_angle_gamma   116.766
_symmetry_Int_Tables_number   1
_cell_volume   132.770
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.000  0.500  0.000  1.0
  Mn  Mn2  1  1.000  1.000  1.000  1.0
  Mn  Mn3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.985  0.243  0.728  1.0
  O  O5  1  0.487  0.757  0.744  1.0
  O  O6  1  0.513  0.242  0.256  1.0
  O  O7  1  0.015  0.758  0.272  1.0
  O  O8  1  0.517  0.763  0.246  1.0
  O  O9  1  0.983  0.228  0.246  1.0
  O  O10  1  0.017  0.771  0.754  1.0
  O  O11  1  0.483  0.237  0.754  1.0
  Si  Si12  1  0.750  0.116  0.366  1.0
  Si  Si13  1  0.250  0.884  0.634  1.0
[/CIF]
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