The material described by Li2Mn(SiO3)2 crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(6) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(6) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form SiO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-60°. In the second Si site, Si(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(3), one Mn(1), one Mn(2), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Li(1), one Si(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Si(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Mn(2), and one Si(2) atom. is represented by the CIF file [CIF]
data_Li2Mn(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.180
_cell_length_b   7.180
_cell_length_c   5.410
_cell_angle_alpha   71.693
_cell_angle_beta   71.693
_cell_angle_gamma   84.672
_symmetry_Int_Tables_number   1
_cell_volume   251.377
_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  0.845  0.485  0.110  1.0
  Li  Li1  1  0.804  0.196  0.000  1.0
  Li  Li2  1  0.515  0.155  0.890  1.0
  Li  Li3  1  0.212  0.788  0.500  1.0
  Mn  Mn4  1  0.896  0.104  0.500  1.0
  Mn  Mn5  1  0.130  0.870  0.000  1.0
  Si  Si6  1  0.792  0.618  0.552  1.0
  Si  Si7  1  0.612  0.792  0.051  1.0
  Si  Si8  1  0.382  0.208  0.448  1.0
  Si  Si9  1  0.208  0.388  0.949  1.0
  O  O10  1  0.962  0.789  0.411  1.0
  O  O11  1  0.850  0.388  0.616  1.0
  O  O12  1  0.761  0.979  0.909  1.0
  O  O13  1  0.662  0.652  0.331  1.0
  O  O14  1  0.612  0.150  0.384  1.0
  O  O15  1  0.664  0.645  0.855  1.0
  O  O16  1  0.348  0.338  0.669  1.0
  O  O17  1  0.389  0.872  0.108  1.0
  O  O18  1  0.355  0.336  0.145  1.0
  O  O19  1  0.211  0.038  0.589  1.0
  O  O20  1  0.128  0.611  0.892  1.0
  O  O21  1  0.021  0.239  0.091  1.0
[/CIF]
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The material described by Li2Mn(SiO3)2 crystallizes in the monoclinic C2 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. In the third Li site, Li(3) is bonded in a distorted see-saw-like geometry to two equivalent O(1) and two equivalent O(6) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(6) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form SiO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-60°. In the second Si site, Si(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(3), one Mn(1), one Mn(2), and one Si(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Li(1), one Si(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Si(1), and one Si(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Mn(2), and one Si(2) atom. is represented by the CIF file [CIF]
data_Li2Mn(SiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.180
_cell_length_b   7.180
_cell_length_c   5.410
_cell_angle_alpha   71.693
_cell_angle_beta   71.693
_cell_angle_gamma   84.672
_symmetry_Int_Tables_number   1
_cell_volume   251.377
_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  0.845  0.485  0.110  1.0
  Li  Li1  1  0.804  0.196  0.000  1.0
  Li  Li2  1  0.515  0.155  0.890  1.0
  Li  Li3  1  0.212  0.788  0.500  1.0
  Mn  Mn4  1  0.896  0.104  0.500  1.0
  Mn  Mn5  1  0.130  0.870  0.000  1.0
  Si  Si6  1  0.792  0.618  0.552  1.0
  Si  Si7  1  0.612  0.792  0.051  1.0
  Si  Si8  1  0.382  0.208  0.448  1.0
  Si  Si9  1  0.208  0.388  0.949  1.0
  O  O10  1  0.962  0.789  0.411  1.0
  O  O11  1  0.850  0.388  0.616  1.0
  O  O12  1  0.761  0.979  0.909  1.0
  O  O13  1  0.662  0.652  0.331  1.0
  O  O14  1  0.612  0.150  0.384  1.0
  O  O15  1  0.664  0.645  0.855  1.0
  O  O16  1  0.348  0.338  0.669  1.0
  O  O17  1  0.389  0.872  0.108  1.0
  O  O18  1  0.355  0.336  0.145  1.0
  O  O19  1  0.211  0.038  0.589  1.0
  O  O20  1  0.128  0.611  0.892  1.0
  O  O21  1  0.021  0.239  0.091  1.0
[/CIF]
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