ScP3(HO2)6 crystallizes in the trigonal R3c space group. Sc(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ScO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-28°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(1) atom. In the second O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one H(1) atom. In the third O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one H(2) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(1) atom.
ScP3(HO2)6 crystallizes in the trigonal R3c space group. Sc(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form ScO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. All Sc(1)-O(1) bond lengths are 2.09 Å. All Sc(1)-O(2) bond lengths are 2.10 Å. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Sc(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-28°. The P(1)-O(1) bond length is 1.50 Å. The P(1)-O(2) bond length is 1.50 Å. The P(1)-O(3) bond length is 1.59 Å. The P(1)-O(4) bond length is 1.62 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. The H(1)-O(3) bond length is 1.00 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. The H(2)-O(4) bond length is 0.98 Å. There are four inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(1) atom. In the second O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one H(1) atom. In the third O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one H(2) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Sc(1) and one P(1) atom.