The material described by Li4Ti3Sn5O16 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Sn(3)O6 octahedra, corners with two equivalent Sn(4)O6 octahedra, and corners with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Sn(4)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and corners with four equivalent Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-61°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and edges with four equivalent Sn(3)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Sn(4)O6 octahedra. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 6-coordinate geometry to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms. In the third Sn site, Sn(3) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form SnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Sn(3)O6 octahedra. In the fourth Sn site, Sn(4) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form SnO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and edges with four equivalent Ti(2)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(2), one Sn(1), and one Sn(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), one Sn(1), and two equivalent Sn(3) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), and two equivalent Sn(3) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Ti(1), and two equivalent Sn(3) atoms to form distorted OLiTiSn2 trigonal pyramids that share  a cornercorner with one O(8)LiTi2Sn trigonal pyramid and edges with two equivalent O(11)LiTiSn2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Ti(2), and one Sn(4) atom to form distorted OLiTi2Sn trigonal pyramids that share corners with two equivalent O(11)LiTiSn2 trigonal pyramids and  an edgeedge with one O(8)LiTi2Sn trigonal pyramid. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(4), one Ti(1), one Sn(1), and one Sn(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Sn(2), and two equivalent Sn(3) atoms. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Ti(2), and one Sn(1) atom to form distorted OLiTi2Sn trigonal pyramids that share  a cornercorner with one O(4)LiTiSn2 trigonal pyramid and  an edgeedge with one O(5)LiTi2Sn trigonal pyramid. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Ti(2), one Sn(2), and one Sn(4) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Ti(2), and one Sn(4) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Ti(1), one Sn(2), and one Sn(3) atom to form distorted OLiTiSn2 trigonal pyramids that share  a cornercorner with one O(5)LiTi2Sn trigonal pyramid,  a cornercorner with one O(11)LiTiSn2 trigonal pyramid,  an edgeedge with one O(11)LiTiSn2 trigonal pyramid, and  an edgeedge with one O(4)LiTiSn2 trigonal pyramid. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Ti(2), and one Sn(2) atom. is represented by the CIF card [CIF]
data_Li4Ti3Sn5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.233
_cell_length_b   6.233
_cell_length_c   10.699
_cell_angle_alpha   89.900
_cell_angle_beta   89.900
_cell_angle_gamma   59.684
_symmetry_Int_Tables_number   1
_cell_volume   358.775
_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  0.668  0.668  0.132  1.0
  Li  Li1  1  0.990  0.990  0.004  1.0
  Li  Li2  1  0.994  0.994  0.499  1.0
  Li  Li3  1  0.336  0.336  0.610  1.0
  Ti  Ti4  1  0.826  0.826  0.778  1.0
  Ti  Ti5  1  0.659  0.171  0.284  1.0
  Ti  Ti6  1  0.171  0.659  0.284  1.0
  Sn  Sn7  1  0.670  0.670  0.489  1.0
  Sn  Sn8  1  0.338  0.338  0.992  1.0
  Sn  Sn9  1  0.332  0.832  0.780  1.0
  Sn  Sn10  1  0.832  0.332  0.780  1.0
  Sn  Sn11  1  0.166  0.166  0.283  1.0
  O  O12  1  0.296  0.845  0.390  1.0
  O  O13  1  0.510  0.510  0.675  1.0
  O  O14  1  0.672  0.672  0.887  1.0
  O  O15  1  0.995  0.995  0.678  1.0
  O  O16  1  0.996  0.996  0.184  1.0
  O  O17  1  0.845  0.296  0.390  1.0
  O  O18  1  0.525  0.980  0.681  1.0
  O  O19  1  0.980  0.525  0.681  1.0
  O  O20  1  0.150  0.150  0.890  1.0
  O  O21  1  0.855  0.855  0.385  1.0
  O  O22  1  0.021  0.505  0.189  1.0
  O  O23  1  0.505  0.021  0.189  1.0
  O  O24  1  0.341  0.341  0.389  1.0
  O  O25  1  0.141  0.701  0.888  1.0
  O  O26  1  0.488  0.488  0.192  1.0
  O  O27  1  0.701  0.141  0.888  1.0
[/CIF]
.
The material described by Li4Ti3Sn5O16 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Sn(3)O6 octahedra, corners with two equivalent Sn(4)O6 octahedra, and corners with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Sn(4)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and corners with four equivalent Sn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-61°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and edges with four equivalent Sn(3)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Sn(4)O6 octahedra. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 6-coordinate geometry to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms. In the third Sn site, Sn(3) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form SnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Sn(3)O6 octahedra. In the fourth Sn site, Sn(4) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form SnO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and edges with four equivalent Ti(2)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(2), one Sn(1), and one Sn(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), one Sn(1), and two equivalent Sn(3) atoms. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), and two equivalent Sn(3) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Ti(1), and two equivalent Sn(3) atoms to form distorted OLiTiSn2 trigonal pyramids that share  a cornercorner with one O(8)LiTi2Sn trigonal pyramid and edges with two equivalent O(11)LiTiSn2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Ti(2), and one Sn(4) atom to form distorted OLiTi2Sn trigonal pyramids that share corners with two equivalent O(11)LiTiSn2 trigonal pyramids and  an edgeedge with one O(8)LiTi2Sn trigonal pyramid. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(4), one Ti(1), one Sn(1), and one Sn(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), one Sn(2), and two equivalent Sn(3) atoms. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Ti(2), and one Sn(1) atom to form distorted OLiTi2Sn trigonal pyramids that share  a cornercorner with one O(4)LiTiSn2 trigonal pyramid and  an edgeedge with one O(5)LiTi2Sn trigonal pyramid. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(1), one Ti(2), one Sn(2), and one Sn(4) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Ti(2), and one Sn(4) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Ti(1), one Sn(2), and one Sn(3) atom to form distorted OLiTiSn2 trigonal pyramids that share  a cornercorner with one O(5)LiTi2Sn trigonal pyramid,  a cornercorner with one O(11)LiTiSn2 trigonal pyramid,  an edgeedge with one O(11)LiTiSn2 trigonal pyramid, and  an edgeedge with one O(4)LiTiSn2 trigonal pyramid. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Ti(2), and one Sn(2) atom. is represented by the CIF card [CIF]
data_Li4Ti3Sn5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.233
_cell_length_b   6.233
_cell_length_c   10.699
_cell_angle_alpha   89.900
_cell_angle_beta   89.900
_cell_angle_gamma   59.684
_symmetry_Int_Tables_number   1
_cell_volume   358.775
_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  0.668  0.668  0.132  1.0
  Li  Li1  1  0.990  0.990  0.004  1.0
  Li  Li2  1  0.994  0.994  0.499  1.0
  Li  Li3  1  0.336  0.336  0.610  1.0
  Ti  Ti4  1  0.826  0.826  0.778  1.0
  Ti  Ti5  1  0.659  0.171  0.284  1.0
  Ti  Ti6  1  0.171  0.659  0.284  1.0
  Sn  Sn7  1  0.670  0.670  0.489  1.0
  Sn  Sn8  1  0.338  0.338  0.992  1.0
  Sn  Sn9  1  0.332  0.832  0.780  1.0
  Sn  Sn10  1  0.832  0.332  0.780  1.0
  Sn  Sn11  1  0.166  0.166  0.283  1.0
  O  O12  1  0.296  0.845  0.390  1.0
  O  O13  1  0.510  0.510  0.675  1.0
  O  O14  1  0.672  0.672  0.887  1.0
  O  O15  1  0.995  0.995  0.678  1.0
  O  O16  1  0.996  0.996  0.184  1.0
  O  O17  1  0.845  0.296  0.390  1.0
  O  O18  1  0.525  0.980  0.681  1.0
  O  O19  1  0.980  0.525  0.681  1.0
  O  O20  1  0.150  0.150  0.890  1.0
  O  O21  1  0.855  0.855  0.385  1.0
  O  O22  1  0.021  0.505  0.189  1.0
  O  O23  1  0.505  0.021  0.189  1.0
  O  O24  1  0.341  0.341  0.389  1.0
  O  O25  1  0.141  0.701  0.888  1.0
  O  O26  1  0.488  0.488  0.192  1.0
  O  O27  1  0.701  0.141  0.888  1.0
[/CIF]
.