The structure described by Li4TiNi3Cu2(PO4)6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(20), one O(3), one O(4), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(11), one O(15), one O(17), and one O(21) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(15), one O(19), one O(22), and one O(23) atom. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(17), one O(18), one O(19), and one O(24) atom. Ti(1) is bonded to one O(11), one O(13), one O(16), one O(18), one O(22), and one O(5) atom to form TiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(12), one O(14), one O(20), one O(3), one O(7), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third Ni site, Ni(3) is bonded to one O(15), one O(17), one O(19), one O(21), one O(23), and one O(24) atom to form distorted NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(14), one O(16), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-54°. In the second P site, P(2) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-53°. In the third P site, P(3) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-50°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-50°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-49°. In the sixth P site, P(6) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-47°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Ni(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 Ni(2), and one P(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ni(2), one Cu(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ni(1), one Cu(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Ni(2), one Cu(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ni(2), one Cu(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ti(1), one Cu(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Ni(1), one Cu(1), and one P(1) atom to form distorted corner-sharing OLiCuNiP trigonal pyramids. In the fifteenth O site, O(15) is bonded in a distorted square pyramidal geometry to one Li(2), one Li(3), one Ni(3), one Cu(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Ni(3), one Cu(2), and one P(5) atom. In the eighteenth O site, O(18) is bonded to one Li(4), one Ti(1), one Cu(1), and one P(5) atom to form distorted corner-sharing OLiTiCuP trigonal pyramids. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Ni(3), one Cu(2), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(2), one Ni(3), and one P(3) atom. In the twenty-second O site, O(22) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(1), one Cu(1), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(3), one Ni(3), and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(4), one Ni(3), and one P(2) atom. is represented by the CIF file [CIF]
data_Li4TiCu2Ni3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.352
_cell_length_b   8.540
_cell_length_c   8.754
_cell_angle_alpha   61.234
_cell_angle_beta   61.960
_cell_angle_gamma   62.084
_symmetry_Int_Tables_number   1
_cell_volume   458.817
_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  0.255  0.641  0.846  1.0
  Li  Li1  1  0.718  0.357  0.157  1.0
  Li  Li2  1  0.351  0.147  0.703  1.0
  Li  Li3  1  0.145  0.705  0.357  1.0
  Ti  Ti4  1  0.149  0.146  0.153  1.0
  Cu  Cu5  1  0.987  0.993  0.009  1.0
  Cu  Cu6  1  0.508  0.496  0.499  1.0
  Ni  Ni7  1  0.857  0.858  0.853  1.0
  Ni  Ni8  1  0.640  0.644  0.645  1.0
  Ni  Ni9  1  0.358  0.352  0.348  1.0
  P  P10  1  0.253  0.950  0.549  1.0
  P  P11  1  0.945  0.549  0.257  1.0
  P  P12  1  0.563  0.248  0.961  1.0
  P  P13  1  0.752  0.044  0.463  1.0
  P  P14  1  0.442  0.754  0.031  1.0
  P  P15  1  0.054  0.463  0.754  1.0
  O  O16  1  0.884  0.506  0.705  1.0
  O  O17  1  0.697  0.887  0.486  1.0
  O  O18  1  0.937  0.735  0.092  1.0
  O  O19  1  0.439  0.706  0.886  1.0
  O  O20  1  0.004  0.383  0.188  1.0
  O  O21  1  0.752  0.549  0.412  1.0
  O  O22  1  0.758  0.093  0.928  1.0
  O  O23  1  0.540  0.413  0.782  1.0
  O  O24  1  0.826  0.009  0.607  1.0
  O  O25  1  0.406  0.752  0.558  1.0
  O  O26  1  0.902  0.089  0.260  1.0
  O  O27  1  0.599  0.831  0.967  1.0
  O  O28  1  0.391  0.174  0.029  1.0
  O  O29  1  0.102  0.923  0.740  1.0
  O  O30  1  0.586  0.241  0.447  1.0
  O  O31  1  0.186  0.003  0.384  1.0
  O  O32  1  0.441  0.591  0.220  1.0
  O  O33  1  0.233  0.908  0.084  1.0
  O  O34  1  0.247  0.449  0.584  1.0
  O  O35  1  0.040  0.604  0.822  1.0
  O  O36  1  0.543  0.305  0.111  1.0
  O  O37  1  0.090  0.257  0.904  1.0
  O  O38  1  0.320  0.104  0.516  1.0
  O  O39  1  0.099  0.516  0.326  1.0
[/CIF]
.
The structure described by Li4TiNi3Cu2(PO4)6 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(20), one O(3), one O(4), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(11), one O(15), one O(17), and one O(21) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(15), one O(19), one O(22), and one O(23) atom. In the fourth Li site, Li(4) is bonded in a distorted rectangular see-saw-like geometry to one O(17), one O(18), one O(19), and one O(24) atom. Ti(1) is bonded to one O(11), one O(13), one O(16), one O(18), one O(22), and one O(5) atom to form TiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(12), one O(14), one O(20), one O(3), one O(7), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the third Ni site, Ni(3) is bonded to one O(15), one O(17), one O(19), one O(21), one O(23), and one O(24) atom to form distorted NiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(14), one O(16), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-54°. In the second P site, P(2) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-53°. In the third P site, P(3) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-50°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-50°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-49°. In the sixth P site, P(6) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-47°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ni(2) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(4) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Ni(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 Ni(2), and one P(5) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ni(2), one Cu(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ni(1), one Cu(1), and one P(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Ni(2), one Cu(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ni(2), one Cu(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Ti(1), one Cu(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(3) atom. In the fourteenth O site, O(14) is bonded to one Li(1), one Ni(1), one Cu(1), and one P(1) atom to form distorted corner-sharing OLiCuNiP trigonal pyramids. In the fifteenth O site, O(15) is bonded in a distorted square pyramidal geometry to one Li(2), one Li(3), one Ni(3), one Cu(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(1) atom. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), one Ni(3), one Cu(2), and one P(5) atom. In the eighteenth O site, O(18) is bonded to one Li(4), one Ti(1), one Cu(1), and one P(5) atom to form distorted corner-sharing OLiTiCuP trigonal pyramids. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Li(3), one Li(4), one Ni(3), one Cu(2), and one P(6) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(2), one Ni(3), and one P(3) atom. In the twenty-second O site, O(22) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(1), one Cu(1), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(3), one Ni(3), and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(4), one Ni(3), and one P(2) atom. is represented by the CIF file [CIF]
data_Li4TiCu2Ni3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.352
_cell_length_b   8.540
_cell_length_c   8.754
_cell_angle_alpha   61.234
_cell_angle_beta   61.960
_cell_angle_gamma   62.084
_symmetry_Int_Tables_number   1
_cell_volume   458.817
_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  0.255  0.641  0.846  1.0
  Li  Li1  1  0.718  0.357  0.157  1.0
  Li  Li2  1  0.351  0.147  0.703  1.0
  Li  Li3  1  0.145  0.705  0.357  1.0
  Ti  Ti4  1  0.149  0.146  0.153  1.0
  Cu  Cu5  1  0.987  0.993  0.009  1.0
  Cu  Cu6  1  0.508  0.496  0.499  1.0
  Ni  Ni7  1  0.857  0.858  0.853  1.0
  Ni  Ni8  1  0.640  0.644  0.645  1.0
  Ni  Ni9  1  0.358  0.352  0.348  1.0
  P  P10  1  0.253  0.950  0.549  1.0
  P  P11  1  0.945  0.549  0.257  1.0
  P  P12  1  0.563  0.248  0.961  1.0
  P  P13  1  0.752  0.044  0.463  1.0
  P  P14  1  0.442  0.754  0.031  1.0
  P  P15  1  0.054  0.463  0.754  1.0
  O  O16  1  0.884  0.506  0.705  1.0
  O  O17  1  0.697  0.887  0.486  1.0
  O  O18  1  0.937  0.735  0.092  1.0
  O  O19  1  0.439  0.706  0.886  1.0
  O  O20  1  0.004  0.383  0.188  1.0
  O  O21  1  0.752  0.549  0.412  1.0
  O  O22  1  0.758  0.093  0.928  1.0
  O  O23  1  0.540  0.413  0.782  1.0
  O  O24  1  0.826  0.009  0.607  1.0
  O  O25  1  0.406  0.752  0.558  1.0
  O  O26  1  0.902  0.089  0.260  1.0
  O  O27  1  0.599  0.831  0.967  1.0
  O  O28  1  0.391  0.174  0.029  1.0
  O  O29  1  0.102  0.923  0.740  1.0
  O  O30  1  0.586  0.241  0.447  1.0
  O  O31  1  0.186  0.003  0.384  1.0
  O  O32  1  0.441  0.591  0.220  1.0
  O  O33  1  0.233  0.908  0.084  1.0
  O  O34  1  0.247  0.449  0.584  1.0
  O  O35  1  0.040  0.604  0.822  1.0
  O  O36  1  0.543  0.305  0.111  1.0
  O  O37  1  0.090  0.257  0.904  1.0
  O  O38  1  0.320  0.104  0.516  1.0
  O  O39  1  0.099  0.516  0.326  1.0
[/CIF]
.