The material structure described by Li3Ti2Cu3O10 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Cu(2)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-19°. In the second Li site, Li(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-19°. Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form TiO6 octahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-20°. In the second Cu site, Cu(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form CuO6 octahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-20°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ti(1), one Cu(1), and two equivalent Cu(2) atoms to form OLiTiCu3 square pyramids that share  a cornercorner with one O(1)LiTiCu3 square pyramid, corners with two equivalent O(3)Li3Ti2 square pyramids, corners with three equivalent O(5)Li3TiCu square pyramids,  an edgeedge with one O(3)Li3Ti2 square pyramid,  an edgeedge with one O(5)Li3TiCu square pyramid,  an edgeedge with one O(1)LiTiCu3 square pyramid, and edges with three equivalent O(4)Li2TiCu2 square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Cu(1), and two equivalent Cu(2) atoms. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), and two equivalent Ti(1) atoms to form OLi3Ti2 square pyramids that share  a cornercorner with one O(3)Li3Ti2 square pyramid, corners with two equivalent O(4)Li2TiCu2 square pyramids, corners with two equivalent O(5)Li3TiCu square pyramids, corners with two equivalent O(1)LiTiCu3 square pyramids,  an edgeedge with one O(1)LiTiCu3 square pyramid, edges with two equivalent O(4)Li2TiCu2 square pyramids, edges with two equivalent O(3)Li3Ti2 square pyramids, and edges with three equivalent O(5)Li3TiCu square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Ti(1), one Cu(1), and one Cu(2) atom to form OLi2TiCu2 square pyramids that share corners with two equivalent O(4)Li2TiCu2 square pyramids, corners with two equivalent O(3)Li3Ti2 square pyramids, corners with two equivalent O(5)Li3TiCu square pyramids, edges with two equivalent O(3)Li3Ti2 square pyramids, edges with two equivalent O(5)Li3TiCu square pyramids, and edges with three equivalent O(1)LiTiCu3 square pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Li(1), one Ti(1), and one Cu(2) atom to form distorted OLi3TiCu square pyramids that share  a cornercorner with one O(5)Li3TiCu square pyramid, corners with two equivalent O(4)Li2TiCu2 square pyramids, corners with two equivalent O(3)Li3Ti2 square pyramids, corners with three equivalent O(1)LiTiCu3 square pyramids,  an edgeedge with one O(5)Li3TiCu square pyramid,  an edgeedge with one O(1)LiTiCu3 square pyramid, edges with two equivalent O(4)Li2TiCu2 square pyramids, and edges with three equivalent O(3)Li3Ti2 square pyramids. is represented by the CIF card [CIF]
data_Li3Ti2Cu3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.132
_cell_length_b   5.316
_cell_length_c   7.729
_cell_angle_alpha   108.383
_cell_angle_beta   98.149
_cell_angle_gamma   104.263
_symmetry_Int_Tables_number   1
_cell_volume   188.361
_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  0.208  0.910  0.385  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Li  Li2  1  0.792  0.090  0.615  1.0
  Ti  Ti3  1  0.123  0.698  0.690  1.0
  Ti  Ti4  1  0.877  0.302  0.310  1.0
  Cu  Cu5  1  0.000  0.500  0.000  1.0
  Cu  Cu6  1  0.704  0.876  0.908  1.0
  Cu  Cu7  1  0.296  0.124  0.092  1.0
  O  O8  1  0.047  0.051  0.844  1.0
  O  O9  1  0.315  0.735  0.952  1.0
  O  O10  1  0.100  0.315  0.532  1.0
  O  O11  1  0.202  0.478  0.212  1.0
  O  O12  1  0.471  0.852  0.664  1.0
  O  O13  1  0.529  0.148  0.336  1.0
  O  O14  1  0.798  0.522  0.788  1.0
  O  O15  1  0.900  0.685  0.468  1.0
  O  O16  1  0.685  0.265  0.048  1.0
  O  O17  1  0.953  0.949  0.156  1.0
[/CIF]
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The material structure described by Li3Ti2Cu3O10 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Cu(2)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-19°. In the second Li site, Li(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-19°. Ti(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form TiO6 octahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-16°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-20°. In the second Cu site, Cu(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form CuO6 octahedra that share  a cornercorner with one Cu(1)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-20°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ti(1), one Cu(1), and two equivalent Cu(2) atoms to form OLiTiCu3 square pyramids that share  a cornercorner with one O(1)LiTiCu3 square pyramid, corners with two equivalent O(3)Li3Ti2 square pyramids, corners with three equivalent O(5)Li3TiCu square pyramids,  an edgeedge with one O(3)Li3Ti2 square pyramid,  an edgeedge with one O(5)Li3TiCu square pyramid,  an edgeedge with one O(1)LiTiCu3 square pyramid, and edges with three equivalent O(4)Li2TiCu2 square pyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Cu(1), and two equivalent Cu(2) atoms. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), and two equivalent Ti(1) atoms to form OLi3Ti2 square pyramids that share  a cornercorner with one O(3)Li3Ti2 square pyramid, corners with two equivalent O(4)Li2TiCu2 square pyramids, corners with two equivalent O(5)Li3TiCu square pyramids, corners with two equivalent O(1)LiTiCu3 square pyramids,  an edgeedge with one O(1)LiTiCu3 square pyramid, edges with two equivalent O(4)Li2TiCu2 square pyramids, edges with two equivalent O(3)Li3Ti2 square pyramids, and edges with three equivalent O(5)Li3TiCu square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Ti(1), one Cu(1), and one Cu(2) atom to form OLi2TiCu2 square pyramids that share corners with two equivalent O(4)Li2TiCu2 square pyramids, corners with two equivalent O(3)Li3Ti2 square pyramids, corners with two equivalent O(5)Li3TiCu square pyramids, edges with two equivalent O(3)Li3Ti2 square pyramids, edges with two equivalent O(5)Li3TiCu square pyramids, and edges with three equivalent O(1)LiTiCu3 square pyramids. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Li(1), one Ti(1), and one Cu(2) atom to form distorted OLi3TiCu square pyramids that share  a cornercorner with one O(5)Li3TiCu square pyramid, corners with two equivalent O(4)Li2TiCu2 square pyramids, corners with two equivalent O(3)Li3Ti2 square pyramids, corners with three equivalent O(1)LiTiCu3 square pyramids,  an edgeedge with one O(5)Li3TiCu square pyramid,  an edgeedge with one O(1)LiTiCu3 square pyramid, edges with two equivalent O(4)Li2TiCu2 square pyramids, and edges with three equivalent O(3)Li3Ti2 square pyramids. is represented by the CIF card [CIF]
data_Li3Ti2Cu3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.132
_cell_length_b   5.316
_cell_length_c   7.729
_cell_angle_alpha   108.383
_cell_angle_beta   98.149
_cell_angle_gamma   104.263
_symmetry_Int_Tables_number   1
_cell_volume   188.361
_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  0.208  0.910  0.385  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Li  Li2  1  0.792  0.090  0.615  1.0
  Ti  Ti3  1  0.123  0.698  0.690  1.0
  Ti  Ti4  1  0.877  0.302  0.310  1.0
  Cu  Cu5  1  0.000  0.500  0.000  1.0
  Cu  Cu6  1  0.704  0.876  0.908  1.0
  Cu  Cu7  1  0.296  0.124  0.092  1.0
  O  O8  1  0.047  0.051  0.844  1.0
  O  O9  1  0.315  0.735  0.952  1.0
  O  O10  1  0.100  0.315  0.532  1.0
  O  O11  1  0.202  0.478  0.212  1.0
  O  O12  1  0.471  0.852  0.664  1.0
  O  O13  1  0.529  0.148  0.336  1.0
  O  O14  1  0.798  0.522  0.788  1.0
  O  O15  1  0.900  0.685  0.468  1.0
  O  O16  1  0.685  0.265  0.048  1.0
  O  O17  1  0.953  0.949  0.156  1.0
[/CIF]
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