The material structure described by Li3TiSiO5 is Stannite-like structured and crystallizes in the orthorhombic Pna2_1 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(3), and one O(5) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent Ti(1)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and corners with four equivalent Li(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(5), and two equivalent O(3) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Ti(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, and corners with four equivalent Si(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and corners with four equivalent Ti(1)O4 tetrahedra. Ti(1) is bonded to one O(4), one O(5), and two equivalent O(1) atoms to form TiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Ti(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and corners with four equivalent Li(3)O4 tetrahedra. Si(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share corners with two equivalent Ti(1)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra, and corners with four equivalent Li(2)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), and two equivalent Ti(1) atoms to form OLi2Ti2 tetrahedra that share  a cornercorner with one O(3)Li3Si tetrahedra, corners with two equivalent O(1)Li2Ti2 tetrahedra, corners with two equivalent O(2)Li3Si tetrahedra, corners with three equivalent O(5)Li2TiSi tetrahedra, and corners with four equivalent O(4)Li2TiSi tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), and one Si(1) atom to form OLi3Si tetrahedra that share corners with two equivalent O(1)Li2Ti2 tetrahedra, corners with three equivalent O(4)Li2TiSi tetrahedra, corners with three equivalent O(5)Li2TiSi tetrahedra, and corners with four equivalent O(3)Li3Si tetrahedra. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), and one Si(1) atom to form OLi3Si tetrahedra that share  a cornercorner with one O(1)Li2Ti2 tetrahedra,  a cornercorner with one O(4)Li2TiSi tetrahedra, corners with two equivalent O(3)Li3Si tetrahedra, corners with four equivalent O(5)Li2TiSi tetrahedra, and corners with four equivalent O(2)Li3Si tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Li(3), one Ti(1), and one Si(1) atom to form OLi2TiSi tetrahedra that share  a cornercorner with one O(3)Li3Si tetrahedra, corners with two equivalent O(4)Li2TiSi tetrahedra, corners with two equivalent O(5)Li2TiSi tetrahedra, corners with three equivalent O(2)Li3Si tetrahedra, and corners with four equivalent O(1)Li2Ti2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Ti(1), and one Si(1) atom to form OLi2TiSi tetrahedra that share corners with two equivalent O(4)Li2TiSi tetrahedra, corners with three equivalent O(1)Li2Ti2 tetrahedra, corners with three equivalent O(2)Li3Si tetrahedra, and corners with four equivalent O(3)Li3Si tetrahedra. is represented by the CIF card [CIF]
data_Li3TiSiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.011
_cell_length_b   5.451
_cell_length_c   15.852
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   432.987
_cell_formula_units_Z   4
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  0.999  0.667  0.590  1.0
  Li  Li1  1  0.999  0.167  0.910  1.0
  Li  Li2  1  0.502  0.336  0.993  1.0
  Li  Li3  1  0.502  0.836  0.507  1.0
  Li  Li4  1  0.499  0.326  0.806  1.0
  Li  Li5  1  0.499  0.826  0.694  1.0
  Li  Li6  1  0.499  0.333  0.410  1.0
  Li  Li7  1  0.499  0.833  0.090  1.0
  Li  Li8  1  0.002  0.664  0.007  1.0
  Li  Li9  1  0.002  0.164  0.493  1.0
  Li  Li10  1  0.999  0.174  0.306  1.0
  Li  Li11  1  0.999  0.674  0.194  1.0
  Ti  Ti12  1  0.996  0.179  0.698  1.0
  Ti  Ti13  1  0.996  0.679  0.802  1.0
  Ti  Ti14  1  0.496  0.321  0.198  1.0
  Ti  Ti15  1  0.496  0.821  0.302  1.0
  Si  Si16  1  0.006  0.161  0.097  1.0
  Si  Si17  1  0.006  0.661  0.403  1.0
  Si  Si18  1  0.506  0.339  0.597  1.0
  Si  Si19  1  0.506  0.839  0.903  1.0
  O  O20  1  0.099  0.343  0.800  1.0
  O  O21  1  0.099  0.843  0.700  1.0
  O  O22  1  0.109  0.379  0.398  1.0
  O  O23  1  0.109  0.879  0.102  1.0
  O  O24  1  0.111  0.315  0.016  1.0
  O  O25  1  0.111  0.815  0.484  1.0
  O  O26  1  0.102  0.309  0.187  1.0
  O  O27  1  0.102  0.809  0.313  1.0
  O  O28  1  0.171  0.328  0.601  1.0
  O  O29  1  0.171  0.828  0.899  1.0
  O  O30  1  0.599  0.657  0.200  1.0
  O  O31  1  0.599  0.157  0.300  1.0
  O  O32  1  0.609  0.621  0.602  1.0
  O  O33  1  0.609  0.121  0.898  1.0
  O  O34  1  0.611  0.185  0.516  1.0
  O  O35  1  0.611  0.685  0.984  1.0
  O  O36  1  0.602  0.191  0.687  1.0
  O  O37  1  0.602  0.691  0.813  1.0
  O  O38  1  0.671  0.172  0.101  1.0
  O  O39  1  0.671  0.672  0.399  1.0
[/CIF]
.
The material structure described by Li3TiSiO5 is Stannite-like structured and crystallizes in the orthorhombic Pna2_1 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(3), and one O(5) atom to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent Ti(1)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and corners with four equivalent Li(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(5), and two equivalent O(3) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Ti(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, and corners with four equivalent Si(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form LiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with three equivalent Si(1)O4 tetrahedra, and corners with four equivalent Ti(1)O4 tetrahedra. Ti(1) is bonded to one O(4), one O(5), and two equivalent O(1) atoms to form TiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Ti(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, and corners with four equivalent Li(3)O4 tetrahedra. Si(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share corners with two equivalent Ti(1)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(3)O4 tetrahedra, and corners with four equivalent Li(2)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), and two equivalent Ti(1) atoms to form OLi2Ti2 tetrahedra that share  a cornercorner with one O(3)Li3Si tetrahedra, corners with two equivalent O(1)Li2Ti2 tetrahedra, corners with two equivalent O(2)Li3Si tetrahedra, corners with three equivalent O(5)Li2TiSi tetrahedra, and corners with four equivalent O(4)Li2TiSi tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), and one Si(1) atom to form OLi3Si tetrahedra that share corners with two equivalent O(1)Li2Ti2 tetrahedra, corners with three equivalent O(4)Li2TiSi tetrahedra, corners with three equivalent O(5)Li2TiSi tetrahedra, and corners with four equivalent O(3)Li3Si tetrahedra. In the third O site, O(3) is bonded to one Li(1), two equivalent Li(2), and one Si(1) atom to form OLi3Si tetrahedra that share  a cornercorner with one O(1)Li2Ti2 tetrahedra,  a cornercorner with one O(4)Li2TiSi tetrahedra, corners with two equivalent O(3)Li3Si tetrahedra, corners with four equivalent O(5)Li2TiSi tetrahedra, and corners with four equivalent O(2)Li3Si tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Li(3), one Ti(1), and one Si(1) atom to form OLi2TiSi tetrahedra that share  a cornercorner with one O(3)Li3Si tetrahedra, corners with two equivalent O(4)Li2TiSi tetrahedra, corners with two equivalent O(5)Li2TiSi tetrahedra, corners with three equivalent O(2)Li3Si tetrahedra, and corners with four equivalent O(1)Li2Ti2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Ti(1), and one Si(1) atom to form OLi2TiSi tetrahedra that share corners with two equivalent O(4)Li2TiSi tetrahedra, corners with three equivalent O(1)Li2Ti2 tetrahedra, corners with three equivalent O(2)Li3Si tetrahedra, and corners with four equivalent O(3)Li3Si tetrahedra. is represented by the CIF card [CIF]
data_Li3TiSiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.011
_cell_length_b   5.451
_cell_length_c   15.852
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   432.987
_cell_formula_units_Z   4
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  0.999  0.667  0.590  1.0
  Li  Li1  1  0.999  0.167  0.910  1.0
  Li  Li2  1  0.502  0.336  0.993  1.0
  Li  Li3  1  0.502  0.836  0.507  1.0
  Li  Li4  1  0.499  0.326  0.806  1.0
  Li  Li5  1  0.499  0.826  0.694  1.0
  Li  Li6  1  0.499  0.333  0.410  1.0
  Li  Li7  1  0.499  0.833  0.090  1.0
  Li  Li8  1  0.002  0.664  0.007  1.0
  Li  Li9  1  0.002  0.164  0.493  1.0
  Li  Li10  1  0.999  0.174  0.306  1.0
  Li  Li11  1  0.999  0.674  0.194  1.0
  Ti  Ti12  1  0.996  0.179  0.698  1.0
  Ti  Ti13  1  0.996  0.679  0.802  1.0
  Ti  Ti14  1  0.496  0.321  0.198  1.0
  Ti  Ti15  1  0.496  0.821  0.302  1.0
  Si  Si16  1  0.006  0.161  0.097  1.0
  Si  Si17  1  0.006  0.661  0.403  1.0
  Si  Si18  1  0.506  0.339  0.597  1.0
  Si  Si19  1  0.506  0.839  0.903  1.0
  O  O20  1  0.099  0.343  0.800  1.0
  O  O21  1  0.099  0.843  0.700  1.0
  O  O22  1  0.109  0.379  0.398  1.0
  O  O23  1  0.109  0.879  0.102  1.0
  O  O24  1  0.111  0.315  0.016  1.0
  O  O25  1  0.111  0.815  0.484  1.0
  O  O26  1  0.102  0.309  0.187  1.0
  O  O27  1  0.102  0.809  0.313  1.0
  O  O28  1  0.171  0.328  0.601  1.0
  O  O29  1  0.171  0.828  0.899  1.0
  O  O30  1  0.599  0.657  0.200  1.0
  O  O31  1  0.599  0.157  0.300  1.0
  O  O32  1  0.609  0.621  0.602  1.0
  O  O33  1  0.609  0.121  0.898  1.0
  O  O34  1  0.611  0.185  0.516  1.0
  O  O35  1  0.611  0.685  0.984  1.0
  O  O36  1  0.602  0.191  0.687  1.0
  O  O37  1  0.602  0.691  0.813  1.0
  O  O38  1  0.671  0.172  0.101  1.0
  O  O39  1  0.671  0.672  0.399  1.0
[/CIF]
.