LiCuPO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), and two equivalent O(1) atoms. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Li(1), one Cu(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cu(1), and one P(1) atom.
LiCuPO4 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), and two equivalent O(1) atoms. The Li(1)-O(2) bond length is 2.01 Å. The Li(1)-O(4) bond length is 2.10 Å. There is one shorter (1.95 Å) and one longer (2.37 Å) Li(1)-O(1) bond length. Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Cu(1)-O(1) bond length is 2.04 Å. The Cu(1)-O(2) bond length is 1.99 Å. The Cu(1)-O(3) bond length is 1.93 Å. The Cu(1)-O(4) bond length is 1.97 Å. P(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. The P(1)-O(1) bond length is 1.58 Å. The P(1)-O(2) bond length is 1.57 Å. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(4) bond length is 1.56 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Li(1), one Cu(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cu(1), and one P(1) atom.