PrSc3(BO3)4 is Calcite-derived structured and crystallizes in the monoclinic C2/c space group. Pr(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms to form edge-sharing ScO6 octahedra. In the second Sc site, Sc(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form edge-sharing ScO6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sc(1), one Sc(2), and one B(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Pr(1), one Sc(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Pr(1), one Sc(2), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Sc(1) and one B(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Pr(1), one Sc(1), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Sc(1), one Sc(2), and one B(1) atom.
PrSc3(BO3)4 is Calcite-derived structured and crystallizes in the monoclinic C2/c space group. Pr(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. Both Pr(1)-O(2) bond lengths are 2.46 Å. Both Pr(1)-O(3) bond lengths are 2.46 Å. Both Pr(1)-O(5) bond lengths are 2.48 Å. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms to form edge-sharing ScO6 octahedra. The Sc(1)-O(1) bond length is 2.14 Å. The Sc(1)-O(2) bond length is 2.10 Å. The Sc(1)-O(5) bond length is 2.07 Å. The Sc(1)-O(6) bond length is 2.13 Å. Both Sc(1)-O(4) bond lengths are 2.15 Å. In the second Sc site, Sc(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form edge-sharing ScO6 octahedra. Both Sc(2)-O(1) bond lengths are 2.14 Å. Both Sc(2)-O(3) bond lengths are 2.08 Å. Both Sc(2)-O(6) bond lengths are 2.16 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. The B(1)-O(2) bond length is 1.39 Å. The B(1)-O(4) bond length is 1.39 Å. The B(1)-O(6) bond length is 1.39 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. The B(2)-O(1) bond length is 1.39 Å. The B(2)-O(3) bond length is 1.38 Å. The B(2)-O(5) bond length is 1.38 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sc(1), one Sc(2), and one B(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Pr(1), one Sc(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Pr(1), one Sc(2), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Sc(1) and one B(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Pr(1), one Sc(1), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Sc(1), one Sc(2), and one B(1) atom.