The compound described by Li3Mn2(SiO4)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form MnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form MnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, and corners with two equivalent Mn(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, and corners with two equivalent Mn(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Mn(1), and one Si(1) atom to form corner-sharing OLi2MnSi tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one Si(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one Si(1) atom. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Mn(2), and one Si(1) atom to form distorted corner-sharing OLi2MnSi tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one Si(2) atom. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Mn(1), and one Si(2) atom to form corner-sharing OLi2MnSi tetrahedra. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Mn(2), and one Si(2) atom to form corner-sharing OLi2MnSi tetrahedra. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Mn2(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.716
_cell_length_b   5.433
_cell_length_c   4.883
_cell_angle_alpha   88.934
_cell_angle_beta   89.579
_cell_angle_gamma   88.749
_symmetry_Int_Tables_number   1
_cell_volume   178.068
_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  0.996  0.814  0.498  1.0
  Li  Li1  1  0.501  0.190  0.998  1.0
  Li  Li2  1  0.760  0.656  0.992  1.0
  Mn  Mn3  1  0.022  0.177  0.995  1.0
  Mn  Mn4  1  0.495  0.831  0.485  1.0
  Si  Si5  1  0.249  0.673  0.013  1.0
  Si  Si6  1  0.756  0.323  0.503  1.0
  O  O7  1  0.040  0.807  0.900  1.0
  O  O8  1  0.247  0.711  0.346  1.0
  O  O9  1  0.260  0.382  0.937  1.0
  O  O10  1  0.455  0.815  0.899  1.0
  O  O11  1  0.564  0.175  0.395  1.0
  O  O12  1  0.759  0.317  0.842  1.0
  O  O13  1  0.749  0.615  0.398  1.0
  O  O14  1  0.959  0.176  0.396  1.0
[/CIF]
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The compound described by Li3Mn2(SiO4)2 crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(6), and one O(8) atom to form MnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), one O(5), and one O(7) atom to form MnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, and corners with two equivalent Mn(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Mn(1)O4 tetrahedra, and corners with two equivalent Mn(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Mn(1), and one Si(1) atom to form corner-sharing OLi2MnSi tetrahedra. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one Si(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(2), one Mn(1), and one Si(1) atom. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Mn(2), and one Si(1) atom to form distorted corner-sharing OLi2MnSi tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one Si(2) atom. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Mn(1), and one Si(2) atom to form corner-sharing OLi2MnSi tetrahedra. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Mn(2), and one Si(2) atom to form corner-sharing OLi2MnSi tetrahedra. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Mn2(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.716
_cell_length_b   5.433
_cell_length_c   4.883
_cell_angle_alpha   88.934
_cell_angle_beta   89.579
_cell_angle_gamma   88.749
_symmetry_Int_Tables_number   1
_cell_volume   178.068
_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  0.996  0.814  0.498  1.0
  Li  Li1  1  0.501  0.190  0.998  1.0
  Li  Li2  1  0.760  0.656  0.992  1.0
  Mn  Mn3  1  0.022  0.177  0.995  1.0
  Mn  Mn4  1  0.495  0.831  0.485  1.0
  Si  Si5  1  0.249  0.673  0.013  1.0
  Si  Si6  1  0.756  0.323  0.503  1.0
  O  O7  1  0.040  0.807  0.900  1.0
  O  O8  1  0.247  0.711  0.346  1.0
  O  O9  1  0.260  0.382  0.937  1.0
  O  O10  1  0.455  0.815  0.899  1.0
  O  O11  1  0.564  0.175  0.395  1.0
  O  O12  1  0.759  0.317  0.842  1.0
  O  O13  1  0.749  0.615  0.398  1.0
  O  O14  1  0.959  0.176  0.396  1.0
[/CIF]
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