The material described by Li4Ti2Mn3Cu3O16 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, and corners with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-67°. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and  an edgeedge with one Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-65°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, and corners with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-64°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and  an edgeedge with one Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the second Ti site, Ti(2) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form MnO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Cu(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 47-52°. In the third Mn site, Mn(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Cu(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form CuO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second Cu site, Cu(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form CuO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the third Cu site, Cu(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form CuO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 53-54°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one Mn(2), and one Cu(3) atom. In the second O site, O(2) is bonded to one Li(4), one Ti(1), one Cu(1), and one Cu(2) atom to form distorted OLiTiCu2 tetrahedra that share corners with two equivalent O(4)LiMnCu2 tetrahedra,  a cornercorner with one O(7)LiTiMnCu trigonal pyramid,  a cornercorner with one O(8)LiTiMnCu trigonal pyramid,  an edgeedge with one O(3)LiMnCu2 trigonal pyramid,  an edgeedge with one O(7)LiTiMnCu trigonal pyramid, and  an edgeedge with one O(8)LiTiMnCu trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one Mn(1), one Cu(1), and one Cu(2) atom to form distorted OLiMnCu2 trigonal pyramids that share  a cornercorner with one O(15)LiTiMn2 tetrahedra,  a cornercorner with one O(11)LiTiMnCu tetrahedra,  a cornercorner with one O(12)LiTiMnCu tetrahedra, corners with three equivalent O(4)LiMnCu2 tetrahedra,  an edgeedge with one O(2)LiTiCu2 tetrahedra,  an edgeedge with one O(7)LiTiMnCu trigonal pyramid, and  an edgeedge with one O(8)LiTiMnCu trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(3), one Mn(1), one Cu(1), and one Cu(2) atom to form OLiMnCu2 tetrahedra that share corners with two equivalent O(2)LiTiCu2 tetrahedra, corners with two equivalent O(7)LiTiMnCu trigonal pyramids, corners with two equivalent O(8)LiTiMnCu trigonal pyramids, and corners with three equivalent O(3)LiMnCu2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Mn(2), one Mn(3), and one Cu(3) atom to form OLiMn2Cu tetrahedra that share corners with two equivalent O(15)LiTiMn2 tetrahedra, corners with two equivalent O(11)LiTiMnCu tetrahedra, and corners with two equivalent O(12)LiTiMnCu tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one Mn(3), and one Cu(3) atom. In the seventh O site, O(7) is bonded to one Li(4), one Ti(1), one Mn(1), and one Cu(1) atom to form distorted OLiTiMnCu trigonal pyramids that share  a cornercorner with one O(2)LiTiCu2 tetrahedra, corners with two equivalent O(4)LiMnCu2 tetrahedra,  a cornercorner with one O(8)LiTiMnCu trigonal pyramid,  an edgeedge with one O(2)LiTiCu2 tetrahedra,  an edgeedge with one O(3)LiMnCu2 trigonal pyramid, and  an edgeedge with one O(8)LiTiMnCu trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(4), one Ti(1), one Mn(1), and one Cu(2) atom to form distorted OLiTiMnCu trigonal pyramids that share  a cornercorner with one O(2)LiTiCu2 tetrahedra, corners with two equivalent O(4)LiMnCu2 tetrahedra,  a cornercorner with one O(7)LiTiMnCu trigonal pyramid,  an edgeedge with one O(2)LiTiCu2 tetrahedra,  an edgeedge with one O(3)LiMnCu2 trigonal pyramid, and  an edgeedge with one O(7)LiTiMnCu trigonal pyramid. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Cu(1), and one Cu(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one Mn(2), and one Mn(3) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Ti(2), one Mn(2), and one Cu(3) atom to form distorted OLiTiMnCu tetrahedra that share  a cornercorner with one O(15)LiTiMn2 tetrahedra,  a cornercorner with one O(12)LiTiMnCu tetrahedra, corners with two equivalent O(5)LiMn2Cu tetrahedra,  a cornercorner with one O(3)LiMnCu2 trigonal pyramid,  an edgeedge with one O(15)LiTiMn2 tetrahedra, and  an edgeedge with one O(12)LiTiMnCu tetrahedra. In the twelfth O site, O(12) is bonded to one Li(1), one Ti(2), one Mn(3), and one Cu(3) atom to form distorted OLiTiMnCu tetrahedra that share  a cornercorner with one O(15)LiTiMn2 tetrahedra,  a cornercorner with one O(11)LiTiMnCu tetrahedra, corners with two equivalent O(5)LiMn2Cu tetrahedra,  a cornercorner with one O(3)LiMnCu2 trigonal pyramid,  an edgeedge with one O(15)LiTiMn2 tetrahedra, and  an edgeedge with one O(11)LiTiMnCu tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Mn(2), one Mn(3), and one Cu(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Mn(1), and one Cu(1) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Ti(2), one Mn(2), and one Mn(3) atom to form distorted OLiTiMn2 tetrahedra that share  a cornercorner with one O(11)LiTiMnCu tetrahedra,  a cornercorner with one O(12)LiTiMnCu tetrahedra, corners with two equivalent O(5)LiMn2Cu tetrahedra,  a cornercorner with one O(3)LiMnCu2 trigonal pyramid,  an edgeedge with one O(11)LiTiMnCu tetrahedra, and  an edgeedge with one O(12)LiTiMnCu tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Mn(1), and one Cu(2) atom. is represented by the CIF card [CIF]
data_Li4Ti2Mn3Cu3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.825
_cell_length_b   5.849
_cell_length_c   9.495
_cell_angle_alpha   90.590
_cell_angle_beta   90.428
_cell_angle_gamma   119.461
_symmetry_Int_Tables_number   1
_cell_volume   281.623
_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  0.673  0.339  0.103  1.0
  Li  Li1  1  0.000  0.999  0.003  1.0
  Li  Li2  1  0.000  0.001  0.507  1.0
  Li  Li3  1  0.333  0.670  0.606  1.0
  Ti  Ti4  1  0.660  0.319  0.509  1.0
  Ti  Ti5  1  0.334  0.659  1.000  1.0
  Mn  Mn6  1  0.827  0.656  0.784  1.0
  Mn  Mn7  1  0.660  0.830  0.285  1.0
  Mn  Mn8  1  0.168  0.828  0.285  1.0
  Cu  Cu9  1  0.829  0.168  0.785  1.0
  Cu  Cu10  1  0.339  0.168  0.786  1.0
  Cu  Cu11  1  0.174  0.340  0.285  1.0
  O  O12  1  0.812  0.147  0.410  1.0
  O  O13  1  0.517  0.042  0.650  1.0
  O  O14  1  0.671  0.340  0.891  1.0
  O  O15  1  0.994  0.989  0.695  1.0
  O  O16  1  0.994  0.994  0.193  1.0
  O  O17  1  0.327  0.157  0.406  1.0
  O  O18  1  0.963  0.495  0.656  1.0
  O  O19  1  0.529  0.495  0.658  1.0
  O  O20  1  0.169  0.335  0.915  1.0
  O  O21  1  0.837  0.671  0.396  1.0
  O  O22  1  0.507  0.545  0.155  1.0
  O  O23  1  0.045  0.532  0.161  1.0
  O  O24  1  0.340  0.675  0.391  1.0
  O  O25  1  0.664  0.819  0.903  1.0
  O  O26  1  0.481  0.969  0.170  1.0
  O  O27  1  0.155  0.818  0.905  1.0
[/CIF]
.
The material described by Li4Ti2Mn3Cu3O16 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, and corners with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-67°. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and  an edgeedge with one Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-65°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra,  a cornercorner with one Cu(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Cu(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, and corners with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-64°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Cu(1)O6 octahedra, and  an edgeedge with one Cu(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the second Ti site, Ti(2) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, and  an edgeedge with one Cu(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-54°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form MnO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Cu(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 47-52°. In the third Mn site, Mn(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Cu(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form CuO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the second Cu site, Cu(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form CuO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the third Cu site, Cu(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form CuO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 53-54°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one Mn(2), and one Cu(3) atom. In the second O site, O(2) is bonded to one Li(4), one Ti(1), one Cu(1), and one Cu(2) atom to form distorted OLiTiCu2 tetrahedra that share corners with two equivalent O(4)LiMnCu2 tetrahedra,  a cornercorner with one O(7)LiTiMnCu trigonal pyramid,  a cornercorner with one O(8)LiTiMnCu trigonal pyramid,  an edgeedge with one O(3)LiMnCu2 trigonal pyramid,  an edgeedge with one O(7)LiTiMnCu trigonal pyramid, and  an edgeedge with one O(8)LiTiMnCu trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one Mn(1), one Cu(1), and one Cu(2) atom to form distorted OLiMnCu2 trigonal pyramids that share  a cornercorner with one O(15)LiTiMn2 tetrahedra,  a cornercorner with one O(11)LiTiMnCu tetrahedra,  a cornercorner with one O(12)LiTiMnCu tetrahedra, corners with three equivalent O(4)LiMnCu2 tetrahedra,  an edgeedge with one O(2)LiTiCu2 tetrahedra,  an edgeedge with one O(7)LiTiMnCu trigonal pyramid, and  an edgeedge with one O(8)LiTiMnCu trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(3), one Mn(1), one Cu(1), and one Cu(2) atom to form OLiMnCu2 tetrahedra that share corners with two equivalent O(2)LiTiCu2 tetrahedra, corners with two equivalent O(7)LiTiMnCu trigonal pyramids, corners with two equivalent O(8)LiTiMnCu trigonal pyramids, and corners with three equivalent O(3)LiMnCu2 trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Mn(2), one Mn(3), and one Cu(3) atom to form OLiMn2Cu tetrahedra that share corners with two equivalent O(15)LiTiMn2 tetrahedra, corners with two equivalent O(11)LiTiMnCu tetrahedra, and corners with two equivalent O(12)LiTiMnCu tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one Mn(3), and one Cu(3) atom. In the seventh O site, O(7) is bonded to one Li(4), one Ti(1), one Mn(1), and one Cu(1) atom to form distorted OLiTiMnCu trigonal pyramids that share  a cornercorner with one O(2)LiTiCu2 tetrahedra, corners with two equivalent O(4)LiMnCu2 tetrahedra,  a cornercorner with one O(8)LiTiMnCu trigonal pyramid,  an edgeedge with one O(2)LiTiCu2 tetrahedra,  an edgeedge with one O(3)LiMnCu2 trigonal pyramid, and  an edgeedge with one O(8)LiTiMnCu trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(4), one Ti(1), one Mn(1), and one Cu(2) atom to form distorted OLiTiMnCu trigonal pyramids that share  a cornercorner with one O(2)LiTiCu2 tetrahedra, corners with two equivalent O(4)LiMnCu2 tetrahedra,  a cornercorner with one O(7)LiTiMnCu trigonal pyramid,  an edgeedge with one O(2)LiTiCu2 tetrahedra,  an edgeedge with one O(3)LiMnCu2 trigonal pyramid, and  an edgeedge with one O(7)LiTiMnCu trigonal pyramid. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Cu(1), and one Cu(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one Mn(2), and one Mn(3) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Ti(2), one Mn(2), and one Cu(3) atom to form distorted OLiTiMnCu tetrahedra that share  a cornercorner with one O(15)LiTiMn2 tetrahedra,  a cornercorner with one O(12)LiTiMnCu tetrahedra, corners with two equivalent O(5)LiMn2Cu tetrahedra,  a cornercorner with one O(3)LiMnCu2 trigonal pyramid,  an edgeedge with one O(15)LiTiMn2 tetrahedra, and  an edgeedge with one O(12)LiTiMnCu tetrahedra. In the twelfth O site, O(12) is bonded to one Li(1), one Ti(2), one Mn(3), and one Cu(3) atom to form distorted OLiTiMnCu tetrahedra that share  a cornercorner with one O(15)LiTiMn2 tetrahedra,  a cornercorner with one O(11)LiTiMnCu tetrahedra, corners with two equivalent O(5)LiMn2Cu tetrahedra,  a cornercorner with one O(3)LiMnCu2 trigonal pyramid,  an edgeedge with one O(15)LiTiMn2 tetrahedra, and  an edgeedge with one O(11)LiTiMnCu tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Mn(2), one Mn(3), and one Cu(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Mn(1), and one Cu(1) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Ti(2), one Mn(2), and one Mn(3) atom to form distorted OLiTiMn2 tetrahedra that share  a cornercorner with one O(11)LiTiMnCu tetrahedra,  a cornercorner with one O(12)LiTiMnCu tetrahedra, corners with two equivalent O(5)LiMn2Cu tetrahedra,  a cornercorner with one O(3)LiMnCu2 trigonal pyramid,  an edgeedge with one O(11)LiTiMnCu tetrahedra, and  an edgeedge with one O(12)LiTiMnCu tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Mn(1), and one Cu(2) atom. is represented by the CIF card [CIF]
data_Li4Ti2Mn3Cu3O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.825
_cell_length_b   5.849
_cell_length_c   9.495
_cell_angle_alpha   90.590
_cell_angle_beta   90.428
_cell_angle_gamma   119.461
_symmetry_Int_Tables_number   1
_cell_volume   281.623
_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  0.673  0.339  0.103  1.0
  Li  Li1  1  0.000  0.999  0.003  1.0
  Li  Li2  1  0.000  0.001  0.507  1.0
  Li  Li3  1  0.333  0.670  0.606  1.0
  Ti  Ti4  1  0.660  0.319  0.509  1.0
  Ti  Ti5  1  0.334  0.659  1.000  1.0
  Mn  Mn6  1  0.827  0.656  0.784  1.0
  Mn  Mn7  1  0.660  0.830  0.285  1.0
  Mn  Mn8  1  0.168  0.828  0.285  1.0
  Cu  Cu9  1  0.829  0.168  0.785  1.0
  Cu  Cu10  1  0.339  0.168  0.786  1.0
  Cu  Cu11  1  0.174  0.340  0.285  1.0
  O  O12  1  0.812  0.147  0.410  1.0
  O  O13  1  0.517  0.042  0.650  1.0
  O  O14  1  0.671  0.340  0.891  1.0
  O  O15  1  0.994  0.989  0.695  1.0
  O  O16  1  0.994  0.994  0.193  1.0
  O  O17  1  0.327  0.157  0.406  1.0
  O  O18  1  0.963  0.495  0.656  1.0
  O  O19  1  0.529  0.495  0.658  1.0
  O  O20  1  0.169  0.335  0.915  1.0
  O  O21  1  0.837  0.671  0.396  1.0
  O  O22  1  0.507  0.545  0.155  1.0
  O  O23  1  0.045  0.532  0.161  1.0
  O  O24  1  0.340  0.675  0.391  1.0
  O  O25  1  0.664  0.819  0.903  1.0
  O  O26  1  0.481  0.969  0.170  1.0
  O  O27  1  0.155  0.818  0.905  1.0
[/CIF]
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