InPbAs2O8 crystallizes in the monoclinic P2_1/c space group. In(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form InO6 octahedra that share corners with three equivalent As(1)O4 tetrahedra and corners with three equivalent As(2)O4 tetrahedra. Pb(1) is bonded in a 6-coordinate geometry to one O(3), one O(6), one O(7), one O(8), and two equivalent O(4) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. In the second As site, As(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form AsO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one In(1) and one As(2) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to one In(1), one Pb(1), and one As(2) atom. In the third O site, O(7) is bonded in a 3-coordinate geometry to one In(1), one Pb(1), and one As(2) atom. In the fourth O site, O(8) is bonded in a water-like geometry to one Pb(1) and one As(2) atom. In the fifth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one In(1) and one As(1) atom. In the sixth O site, O(2) is bonded in a bent 120 degrees geometry to one In(1) and one As(1) atom. In the seventh O site, O(3) is bonded in a 3-coordinate geometry to one In(1), one Pb(1), and one As(1) atom. In the eighth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Pb(1) and one As(1) atom.
InPbAs2O8 crystallizes in the monoclinic P2_1/c space group. In(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form InO6 octahedra that share corners with three equivalent As(1)O4 tetrahedra and corners with three equivalent As(2)O4 tetrahedra. The In(1)-O(1) bond length is 2.16 Å. The In(1)-O(2) bond length is 2.15 Å. The In(1)-O(3) bond length is 2.21 Å. The In(1)-O(5) bond length is 2.17 Å. The In(1)-O(6) bond length is 2.26 Å. The In(1)-O(7) bond length is 2.19 Å. Pb(1) is bonded in a 6-coordinate geometry to one O(3), one O(6), one O(7), one O(8), and two equivalent O(4) atoms. The Pb(1)-O(3) bond length is 2.60 Å. The Pb(1)-O(6) bond length is 2.44 Å. The Pb(1)-O(7) bond length is 2.50 Å. The Pb(1)-O(8) bond length is 2.33 Å. There is one shorter (2.36 Å) and one longer (2.48 Å) Pb(1)-O(4) bond length. There are two inequivalent As sites. In the first As site, As(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AsO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-58°. The As(1)-O(1) bond length is 1.71 Å. The As(1)-O(2) bond length is 1.71 Å. The As(1)-O(3) bond length is 1.75 Å. The As(1)-O(4) bond length is 1.76 Å. In the second As site, As(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form AsO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. The As(2)-O(5) bond length is 1.71 Å. The As(2)-O(6) bond length is 1.74 Å. The As(2)-O(7) bond length is 1.75 Å. The As(2)-O(8) bond length is 1.72 Å. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a bent 120 degrees geometry to one In(1) and one As(2) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to one In(1), one Pb(1), and one As(2) atom. In the third O site, O(7) is bonded in a 3-coordinate geometry to one In(1), one Pb(1), and one As(2) atom. In the fourth O site, O(8) is bonded in a water-like geometry to one Pb(1) and one As(2) atom. In the fifth O site, O(1) is bonded in a distorted bent 120 degrees geometry to one In(1) and one As(1) atom. In the sixth O site, O(2) is bonded in a bent 120 degrees geometry to one In(1) and one As(1) atom. In the seventh O site, O(3) is bonded in a 3-coordinate geometry to one In(1), one Pb(1), and one As(1) atom. In the eighth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Pb(1) and one As(1) atom.