LiCu5P3O13 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(11), one O(13), and one O(8) atom. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(2), one O(4), and one O(7) atom. In the second Cu site, Cu(2) is bonded to one O(1), one O(12), one O(3), one O(5), and one O(6) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Cu(5)O5 trigonal bipyramid. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(6), one O(7), and one O(9) atom. In the fourth Cu site, Cu(4) is bonded in a rectangular see-saw-like geometry to one O(10), one O(11), one O(13), and one O(8) atom. In the fifth Cu site, Cu(5) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(9) atom to form CuO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, and  an edgeedge with one Cu(2)O5 trigonal bipyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(13), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(5)O5 trigonal bipyramid and corners with three equivalent Cu(2)O5 trigonal bipyramids. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(10), one O(11), one O(7), and one O(8) atom. In the third P site, P(3) is bonded to one O(2), one O(3), one O(4), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O5 trigonal bipyramid and corners with three equivalent Cu(5)O5 trigonal bipyramids. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to one Cu(1), one Cu(2), one Cu(3), and one Cu(5) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(5), and one P(3) atom. In the third O site, O(3) is bonded in a linear geometry to one Cu(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), one Cu(3), one Cu(5), and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(5), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(4), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Cu(3), one Cu(5), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(4) and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(4), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(4), and one P(1) atom.
LiCu5P3O13 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted trigonal non-coplanar geometry to one O(11), one O(13), and one O(8) atom. The Li(1)-O(11) bond length is 1.99 Å. The Li(1)-O(13) bond length is 1.99 Å. The Li(1)-O(8) bond length is 1.99 Å. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(2), one O(4), and one O(7) atom. The Cu(1)-O(1) bond length is 1.93 Å. The Cu(1)-O(12) bond length is 2.02 Å. The Cu(1)-O(2) bond length is 2.01 Å. The Cu(1)-O(4) bond length is 2.39 Å. The Cu(1)-O(7) bond length is 2.00 Å. In the second Cu site, Cu(2) is bonded to one O(1), one O(12), one O(3), one O(5), and one O(6) atom to form distorted CuO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one Cu(5)O5 trigonal bipyramid. The Cu(2)-O(1) bond length is 1.92 Å. The Cu(2)-O(12) bond length is 2.15 Å. The Cu(2)-O(3) bond length is 1.88 Å. The Cu(2)-O(5) bond length is 2.17 Å. The Cu(2)-O(6) bond length is 2.27 Å. In the third Cu site, Cu(3) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(6), one O(7), and one O(9) atom. The Cu(3)-O(1) bond length is 1.90 Å. The Cu(3)-O(4) bond length is 2.41 Å. The Cu(3)-O(6) bond length is 1.97 Å. The Cu(3)-O(7) bond length is 1.98 Å. The Cu(3)-O(9) bond length is 1.97 Å. In the fourth Cu site, Cu(4) is bonded in a rectangular see-saw-like geometry to one O(10), one O(11), one O(13), and one O(8) atom. The Cu(4)-O(10) bond length is 1.95 Å. The Cu(4)-O(11) bond length is 1.94 Å. The Cu(4)-O(13) bond length is 1.98 Å. The Cu(4)-O(8) bond length is 1.95 Å. In the fifth Cu site, Cu(5) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(9) atom to form CuO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra, and  an edgeedge with one Cu(2)O5 trigonal bipyramid. The Cu(5)-O(1) bond length is 2.01 Å. The Cu(5)-O(2) bond length is 2.14 Å. The Cu(5)-O(4) bond length is 1.98 Å. The Cu(5)-O(5) bond length is 1.99 Å. The Cu(5)-O(9) bond length is 2.20 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(13), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(5)O5 trigonal bipyramid and corners with three equivalent Cu(2)O5 trigonal bipyramids. The P(1)-O(12) bond length is 1.57 Å. The P(1)-O(13) bond length is 1.56 Å. The P(1)-O(5) bond length is 1.56 Å. The P(1)-O(6) bond length is 1.57 Å. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(10), one O(11), one O(7), and one O(8) atom. The P(2)-O(10) bond length is 1.54 Å. The P(2)-O(11) bond length is 1.55 Å. The P(2)-O(7) bond length is 1.59 Å. The P(2)-O(8) bond length is 1.55 Å. In the third P site, P(3) is bonded to one O(2), one O(3), one O(4), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Cu(2)O5 trigonal bipyramid and corners with three equivalent Cu(5)O5 trigonal bipyramids. The P(3)-O(2) bond length is 1.57 Å. The P(3)-O(3) bond length is 1.51 Å. The P(3)-O(4) bond length is 1.57 Å. The P(3)-O(9) bond length is 1.57 Å. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to one Cu(1), one Cu(2), one Cu(3), and one Cu(5) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cu(1), one Cu(5), and one P(3) atom. In the third O site, O(3) is bonded in a linear geometry to one Cu(2) and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), one Cu(3), one Cu(5), and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(5), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cu(2), one Cu(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cu(1), one Cu(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(4), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Cu(3), one Cu(5), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(4) and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(4), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(2), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(1), one Cu(4), and one P(1) atom.