The structure described by Li3MnSi2O7 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(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, and corners with three equivalent Mn(1)O4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and  a cornercorner with one Mn(1)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and corners with three equivalent Mn(1)O4 trigonal pyramids. Mn(1) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form distorted MnO4 trigonal pyramids that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and corners with three equivalent Li(3)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra, and corners with two equivalent Mn(1)O4 trigonal pyramids. In the second Si site, Si(2) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and corners with two equivalent Mn(1)O4 trigonal pyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Si(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Li(3), and one Si(1) atom. In the third O site, O(3) 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 fourth O site, O(4) is bonded to one Li(2), one Li(3), one Mn(1), and one Si(1) atom to form corner-sharing OLi2MnSi tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(2), and one Si(2) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Li(2), one Si(1), and one Si(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Mn(1), and one Si(2) atom to form distorted corner-sharing OLi2MnSi tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3MnSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.665
_cell_length_b   5.353
_cell_length_c   6.759
_cell_angle_alpha   99.344
_cell_angle_beta   90.852
_cell_angle_gamma   115.630
_symmetry_Int_Tables_number   1
_cell_volume   149.499
_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  0.714  0.423  0.151  1.0
  Li  Li1  1  0.837  0.704  0.552  1.0
  Li  Li2  1  0.284  0.570  0.832  1.0
  Mn  Mn3  1  0.001  0.007  0.012  1.0
  Si  Si4  1  0.585  0.155  0.712  1.0
  Si  Si5  1  0.438  0.842  0.289  1.0
  O  O6  1  0.750  0.088  0.208  1.0
  O  O7  1  0.883  0.441  0.690  1.0
  O  O8  1  0.372  0.231  0.887  1.0
  O  O9  1  0.688  0.920  0.785  1.0
  O  O10  1  0.514  0.588  0.324  1.0
  O  O11  1  0.340  0.982  0.503  1.0
  O  O12  1  0.135  0.750  0.117  1.0
[/CIF]
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The structure described by Li3MnSi2O7 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(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra, and corners with three equivalent Mn(1)O4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and  a cornercorner with one Mn(1)O4 trigonal pyramid. In the third Li site, Li(3) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and corners with three equivalent Mn(1)O4 trigonal pyramids. Mn(1) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form distorted MnO4 trigonal pyramids that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and corners with three equivalent Li(3)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra, and corners with two equivalent Mn(1)O4 trigonal pyramids. In the second Si site, Si(2) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Si(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and corners with two equivalent Mn(1)O4 trigonal pyramids. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Si(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Li(3), and one Si(1) atom. In the third O site, O(3) 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 fourth O site, O(4) is bonded to one Li(2), one Li(3), one Mn(1), and one Si(1) atom to form corner-sharing OLi2MnSi tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(2), and one Si(2) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Li(2), one Si(1), and one Si(2) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Mn(1), and one Si(2) atom to form distorted corner-sharing OLi2MnSi tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3MnSi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.665
_cell_length_b   5.353
_cell_length_c   6.759
_cell_angle_alpha   99.344
_cell_angle_beta   90.852
_cell_angle_gamma   115.630
_symmetry_Int_Tables_number   1
_cell_volume   149.499
_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  0.714  0.423  0.151  1.0
  Li  Li1  1  0.837  0.704  0.552  1.0
  Li  Li2  1  0.284  0.570  0.832  1.0
  Mn  Mn3  1  0.001  0.007  0.012  1.0
  Si  Si4  1  0.585  0.155  0.712  1.0
  Si  Si5  1  0.438  0.842  0.289  1.0
  O  O6  1  0.750  0.088  0.208  1.0
  O  O7  1  0.883  0.441  0.690  1.0
  O  O8  1  0.372  0.231  0.887  1.0
  O  O9  1  0.688  0.920  0.785  1.0
  O  O10  1  0.514  0.588  0.324  1.0
  O  O11  1  0.340  0.982  0.503  1.0
  O  O12  1  0.135  0.750  0.117  1.0
[/CIF]
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