InPbP2O8 crystallizes in the monoclinic P2_1/c space group. In(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form InO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. Pb(1) is bonded in a 4-coordinate geometry to one O(4), one O(6), and two equivalent O(1) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-50°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-50°. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a 2-coordinate geometry to one In(1) and one P(1) atom. In the second O site, O(6) is bonded in a 3-coordinate geometry to one In(1), one Pb(1), and one P(2) atom. In the third O site, O(7) is bonded in a distorted bent 120 degrees geometry to one In(1) and one P(2) atom. In the fourth O site, O(8) is bonded in a 2-coordinate geometry to one In(1) and one P(1) atom. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(2) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one In(1) and one P(2) atom. In the seventh O site, O(3) is bonded in a bent 150 degrees geometry to one In(1) and one P(1) atom. In the eighth O site, O(4) is bonded in a distorted single-bond geometry to one Pb(1) and one P(1) atom.
InPbP2O8 crystallizes in the monoclinic P2_1/c space group. In(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form InO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. The In(1)-O(2) bond length is 2.14 Å. The In(1)-O(3) bond length is 2.13 Å. The In(1)-O(5) bond length is 2.20 Å. The In(1)-O(6) bond length is 2.18 Å. The In(1)-O(7) bond length is 2.17 Å. The In(1)-O(8) bond length is 2.20 Å. Pb(1) is bonded in a 4-coordinate geometry to one O(4), one O(6), and two equivalent O(1) atoms. The Pb(1)-O(4) bond length is 2.37 Å. The Pb(1)-O(6) bond length is 2.68 Å. There is one shorter (2.44 Å) and one longer (2.47 Å) Pb(1)-O(1) bond length. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-50°. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(4) bond length is 1.54 Å. The P(1)-O(5) bond length is 1.56 Å. The P(1)-O(8) bond length is 1.56 Å. In the second P site, P(2) is bonded to one O(1), one O(2), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-50°. The P(2)-O(1) bond length is 1.56 Å. The P(2)-O(2) bond length is 1.53 Å. The P(2)-O(6) bond length is 1.56 Å. The P(2)-O(7) bond length is 1.55 Å. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a 2-coordinate geometry to one In(1) and one P(1) atom. In the second O site, O(6) is bonded in a 3-coordinate geometry to one In(1), one Pb(1), and one P(2) atom. In the third O site, O(7) is bonded in a distorted bent 120 degrees geometry to one In(1) and one P(2) atom. In the fourth O site, O(8) is bonded in a 2-coordinate geometry to one In(1) and one P(1) atom. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(2) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one In(1) and one P(2) atom. In the seventh O site, O(3) is bonded in a bent 150 degrees geometry to one In(1) and one P(1) atom. In the eighth O site, O(4) is bonded in a distorted single-bond geometry to one Pb(1) and one P(1) atom.