LiBiP2O7 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), and two equivalent O(3) atoms. Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), and two equivalent O(2) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form corner-sharing PO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Bi(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Bi(1) and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1), one Bi(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Bi(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Bi(1) and one P(2) atom.
LiBiP2O7 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 5-coordinate geometry to one O(1), one O(4), one O(5), and two equivalent O(3) atoms. The Li(1)-O(1) bond length is 2.22 Å. The Li(1)-O(4) bond length is 2.05 Å. The Li(1)-O(5) bond length is 2.23 Å. There is one shorter (2.20 Å) and one longer (2.35 Å) Li(1)-O(3) bond length. Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), and two equivalent O(2) atoms. The Bi(1)-O(1) bond length is 2.53 Å. The Bi(1)-O(3) bond length is 2.54 Å. The Bi(1)-O(4) bond length is 2.63 Å. The Bi(1)-O(5) bond length is 2.34 Å. The Bi(1)-O(7) bond length is 2.31 Å. Both Bi(1)-O(2) bond lengths are 2.48 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form corner-sharing PO4 tetrahedra. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(2) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(6) bond length is 1.60 Å. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form corner-sharing PO4 tetrahedra. The P(2)-O(4) bond length is 1.52 Å. The P(2)-O(5) bond length is 1.54 Å. The P(2)-O(6) bond length is 1.63 Å. The P(2)-O(7) bond length is 1.54 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Bi(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Bi(1) and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1), one Bi(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(1), one Bi(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Bi(1) and one P(2) atom.