The material structure described by Li4TiCu3(PO4)4 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(4), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(15), one O(2), and one O(6) atom. In the third Li site, Li(3) is bonded to one O(11), one O(13), one O(16), and one O(5) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(10), one O(14), one O(3), and one O(9) atom. Ti(1) is bonded to one O(1), one O(10), one O(14), one O(15), one O(2), and one O(3) atom to form distorted TiO6 pentagonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted see-saw-like geometry to one O(2), one O(3), one O(6), and one O(9) atom. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(16), one O(4), one O(5), and one O(7) atom. In the third Cu site, Cu(3) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(12), one O(13), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 pentagonal pyramid and corners with two equivalent Li(3)O4 trigonal pyramids. In the second P site, P(2) is bonded to one O(10), one O(2), one O(3), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 pentagonal pyramid and  an edgeedge with one Ti(1)O6 pentagonal pyramid. In the third P site, P(3) is bonded to one O(11), one O(12), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O4 trigonal pyramid. In the fourth P site, P(4) is bonded to one O(14), one O(15), one O(16), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 pentagonal pyramids and  a cornercorner with one Li(3)O4 trigonal pyramid. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Ti(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Ti(1), one Cu(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Li(4), one Ti(1), one Cu(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cu(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(3), one Cu(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(1), and one P(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Cu(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(4), one Cu(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(4), one Ti(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one Cu(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(3), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(3), one Cu(3), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(4), one Ti(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Ti(1), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(3), one Cu(2), and one P(4) atom. is represented by the CIF card [CIF]
data_Li4TiCu3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.094
_cell_length_b   6.347
_cell_length_c   10.126
_cell_angle_alpha   89.980
_cell_angle_beta   89.158
_cell_angle_gamma   88.848
_symmetry_Int_Tables_number   1
_cell_volume   327.272
_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  0.102  0.969  0.871  1.0
  Li  Li1  1  0.435  0.981  0.406  1.0
  Li  Li2  1  0.608  0.465  0.625  1.0
  Li  Li3  1  0.879  0.437  0.110  1.0
  Ti  Ti4  1  0.967  0.755  0.286  1.0
  Cu  Cu5  1  0.391  0.253  0.197  1.0
  Cu  Cu6  1  0.105  0.256  0.692  1.0
  Cu  Cu7  1  0.620  0.753  0.808  1.0
  P  P8  1  0.091  0.745  0.603  1.0
  P  P9  1  0.383  0.749  0.107  1.0
  P  P10  1  0.580  0.245  0.893  1.0
  P  P11  1  0.931  0.250  0.397  1.0
  O  O12  1  0.158  0.763  0.446  1.0
  O  O13  1  0.239  0.931  0.190  1.0
  O  O14  1  0.212  0.565  0.168  1.0
  O  O15  1  0.207  0.938  0.671  1.0
  O  O16  1  0.240  0.546  0.651  1.0
  O  O17  1  0.232  0.234  0.380  1.0
  O  O18  1  0.280  0.232  0.871  1.0
  O  O19  1  0.341  0.769  0.960  1.0
  O  O20  1  0.627  0.263  0.045  1.0
  O  O21  1  0.676  0.730  0.145  1.0
  O  O22  1  0.698  0.438  0.819  1.0
  O  O23  1  0.735  0.047  0.841  1.0
  O  O24  1  0.789  0.733  0.616  1.0
  O  O25  1  0.826  0.453  0.322  1.0
  O  O26  1  0.800  0.044  0.335  1.0
  O  O27  1  0.841  0.260  0.542  1.0
[/CIF]
.
The material structure described by Li4TiCu3(PO4)4 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(4), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(15), one O(2), and one O(6) atom. In the third Li site, Li(3) is bonded to one O(11), one O(13), one O(16), and one O(5) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(10), one O(14), one O(3), and one O(9) atom. Ti(1) is bonded to one O(1), one O(10), one O(14), one O(15), one O(2), and one O(3) atom to form distorted TiO6 pentagonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted see-saw-like geometry to one O(2), one O(3), one O(6), and one O(9) atom. In the second Cu site, Cu(2) is bonded in a distorted rectangular see-saw-like geometry to one O(16), one O(4), one O(5), and one O(7) atom. In the third Cu site, Cu(3) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(12), one O(13), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 pentagonal pyramid and corners with two equivalent Li(3)O4 trigonal pyramids. In the second P site, P(2) is bonded to one O(10), one O(2), one O(3), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 pentagonal pyramid and  an edgeedge with one Ti(1)O6 pentagonal pyramid. In the third P site, P(3) is bonded to one O(11), one O(12), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O4 trigonal pyramid. In the fourth P site, P(4) is bonded to one O(14), one O(15), one O(16), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Ti(1)O6 pentagonal pyramids and  a cornercorner with one Li(3)O4 trigonal pyramid. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Ti(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Ti(1), one Cu(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Li(4), one Ti(1), one Cu(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Cu(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(3), one Cu(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(1), and one P(4) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Cu(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(4), one Cu(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(4), one Ti(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(3), one Cu(3), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(3), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(3), one Cu(3), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(4), one Ti(1), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Ti(1), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(3), one Cu(2), and one P(4) atom. is represented by the CIF card [CIF]
data_Li4TiCu3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.094
_cell_length_b   6.347
_cell_length_c   10.126
_cell_angle_alpha   89.980
_cell_angle_beta   89.158
_cell_angle_gamma   88.848
_symmetry_Int_Tables_number   1
_cell_volume   327.272
_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  0.102  0.969  0.871  1.0
  Li  Li1  1  0.435  0.981  0.406  1.0
  Li  Li2  1  0.608  0.465  0.625  1.0
  Li  Li3  1  0.879  0.437  0.110  1.0
  Ti  Ti4  1  0.967  0.755  0.286  1.0
  Cu  Cu5  1  0.391  0.253  0.197  1.0
  Cu  Cu6  1  0.105  0.256  0.692  1.0
  Cu  Cu7  1  0.620  0.753  0.808  1.0
  P  P8  1  0.091  0.745  0.603  1.0
  P  P9  1  0.383  0.749  0.107  1.0
  P  P10  1  0.580  0.245  0.893  1.0
  P  P11  1  0.931  0.250  0.397  1.0
  O  O12  1  0.158  0.763  0.446  1.0
  O  O13  1  0.239  0.931  0.190  1.0
  O  O14  1  0.212  0.565  0.168  1.0
  O  O15  1  0.207  0.938  0.671  1.0
  O  O16  1  0.240  0.546  0.651  1.0
  O  O17  1  0.232  0.234  0.380  1.0
  O  O18  1  0.280  0.232  0.871  1.0
  O  O19  1  0.341  0.769  0.960  1.0
  O  O20  1  0.627  0.263  0.045  1.0
  O  O21  1  0.676  0.730  0.145  1.0
  O  O22  1  0.698  0.438  0.819  1.0
  O  O23  1  0.735  0.047  0.841  1.0
  O  O24  1  0.789  0.733  0.616  1.0
  O  O25  1  0.826  0.453  0.322  1.0
  O  O26  1  0.800  0.044  0.335  1.0
  O  O27  1  0.841  0.260  0.542  1.0
[/CIF]
.