The material described by Li5Co2Cu2(PO4)4 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(13), one O(15), one O(16), one O(2), and one O(4) atom. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 74°. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(6), one O(7), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(5), one O(7), one O(8), and one O(9) atom. In the fifth Li site, Li(5) is bonded to one O(11), one O(14), one O(15), and one O(16) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 74°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(12), one O(13), one O(14), and one O(16) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 trigonal pyramid,  an edgeedge with one P(3)O4 tetrahedra, and  an edgeedge with one Li(5)O4 trigonal pyramid. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(5), one O(6), and one O(8) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(13), one O(15), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Li(5)O4 trigonal pyramid, and corners with two equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 47-52°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(12), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Li(5)O4 trigonal pyramid, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the fourth P site, P(4) is bonded to one O(1), one O(13), one O(14), and one O(15) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and corners with two equivalent Li(5)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 48-53°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Co(1), and one P(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Co(1), one Cu(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Co(1), one Cu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Co(1), one Cu(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Co(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Cu(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Cu(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(4), one Co(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(5), one Co(2), one Cu(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Co(2), one Cu(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(1), one Co(2), one Cu(2), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(5), one Co(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(1), one Li(5), one Cu(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Co(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Co2Cu2(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.858
_cell_length_b   6.214
_cell_length_c   10.236
_cell_angle_alpha   87.843
_cell_angle_beta   86.976
_cell_angle_gamma   89.110
_symmetry_Int_Tables_number   1
_cell_volume   308.341
_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  0.045  0.486  0.019  1.0
  Li  Li1  1  0.107  0.979  0.132  1.0
  Li  Li2  1  0.535  1.000  0.462  1.0
  Li  Li3  1  0.459  0.509  0.524  1.0
  Li  Li4  1  0.895  0.023  0.870  1.0
  Co  Co5  1  0.545  0.732  0.214  1.0
  Co  Co6  1  0.456  0.262  0.784  1.0
  Cu  Cu7  1  0.085  0.271  0.302  1.0
  Cu  Cu8  1  0.916  0.731  0.704  1.0
  P  P9  1  0.603  0.246  0.096  1.0
  P  P10  1  0.086  0.754  0.402  1.0
  P  P11  1  0.911  0.252  0.601  1.0
  P  P12  1  0.400  0.754  0.904  1.0
  O  O13  1  0.300  0.745  0.053  1.0
  O  O14  1  0.283  0.255  0.112  1.0
  O  O15  1  0.721  0.034  0.161  1.0
  O  O16  1  0.733  0.444  0.158  1.0
  O  O17  1  0.243  0.557  0.340  1.0
  O  O18  1  0.225  0.948  0.320  1.0
  O  O19  1  0.772  0.749  0.394  1.0
  O  O20  1  0.820  0.230  0.459  1.0
  O  O21  1  0.181  0.763  0.544  1.0
  O  O22  1  0.225  0.271  0.607  1.0
  O  O23  1  0.787  0.061  0.687  1.0
  O  O24  1  0.746  0.451  0.658  1.0
  O  O25  1  0.271  0.553  0.845  1.0
  O  O26  1  0.276  0.966  0.842  1.0
  O  O27  1  0.717  0.750  0.888  1.0
  O  O28  1  0.701  0.253  0.948  1.0
[/CIF]
.
The material described by Li5Co2Cu2(PO4)4 crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(13), one O(15), one O(16), one O(2), and one O(4) atom. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 74°. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(6), one O(7), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(5), one O(7), one O(8), and one O(9) atom. In the fifth Li site, Li(5) is bonded to one O(11), one O(14), one O(15), and one O(16) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 74°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one P(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(12), one O(13), one O(14), and one O(16) atom to form distorted CoO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 trigonal pyramid,  an edgeedge with one P(3)O4 tetrahedra, and  an edgeedge with one Li(5)O4 trigonal pyramid. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(5), one O(6), and one O(8) atom. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(13), one O(15), and one O(9) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Li(5)O4 trigonal pyramid, and corners with two equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 47-52°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(12), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Li(5)O4 trigonal pyramid, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the fourth P site, P(4) is bonded to one O(1), one O(13), one O(14), and one O(15) atom to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, and corners with two equivalent Li(5)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 48-53°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Co(1), and one P(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Co(1), one Cu(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Co(1), one Cu(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(2), one Li(3), one Co(1), one Cu(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Co(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Cu(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Cu(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(4), one Co(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(5), one Co(2), one Cu(2), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Co(2), one Cu(2), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(1), one Co(2), one Cu(2), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(5), one Co(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(1), one Li(5), one Cu(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(1), one Li(5), one Co(2), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Co2Cu2(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.858
_cell_length_b   6.214
_cell_length_c   10.236
_cell_angle_alpha   87.843
_cell_angle_beta   86.976
_cell_angle_gamma   89.110
_symmetry_Int_Tables_number   1
_cell_volume   308.341
_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  0.045  0.486  0.019  1.0
  Li  Li1  1  0.107  0.979  0.132  1.0
  Li  Li2  1  0.535  1.000  0.462  1.0
  Li  Li3  1  0.459  0.509  0.524  1.0
  Li  Li4  1  0.895  0.023  0.870  1.0
  Co  Co5  1  0.545  0.732  0.214  1.0
  Co  Co6  1  0.456  0.262  0.784  1.0
  Cu  Cu7  1  0.085  0.271  0.302  1.0
  Cu  Cu8  1  0.916  0.731  0.704  1.0
  P  P9  1  0.603  0.246  0.096  1.0
  P  P10  1  0.086  0.754  0.402  1.0
  P  P11  1  0.911  0.252  0.601  1.0
  P  P12  1  0.400  0.754  0.904  1.0
  O  O13  1  0.300  0.745  0.053  1.0
  O  O14  1  0.283  0.255  0.112  1.0
  O  O15  1  0.721  0.034  0.161  1.0
  O  O16  1  0.733  0.444  0.158  1.0
  O  O17  1  0.243  0.557  0.340  1.0
  O  O18  1  0.225  0.948  0.320  1.0
  O  O19  1  0.772  0.749  0.394  1.0
  O  O20  1  0.820  0.230  0.459  1.0
  O  O21  1  0.181  0.763  0.544  1.0
  O  O22  1  0.225  0.271  0.607  1.0
  O  O23  1  0.787  0.061  0.687  1.0
  O  O24  1  0.746  0.451  0.658  1.0
  O  O25  1  0.271  0.553  0.845  1.0
  O  O26  1  0.276  0.966  0.842  1.0
  O  O27  1  0.717  0.750  0.888  1.0
  O  O28  1  0.701  0.253  0.948  1.0
[/CIF]
.