DOE OSTI2020
Pr(BO2)5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Pr–O bond distances ranging from 2.45–2.84 Å. There are five inequivalent B sites. In the first B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.49 Å. In the second B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.50 Å. In the third B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.44–1.51 Å. In the fourth B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.36–1.40 Å. In the fifth B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.36–1.38 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Pr and two B atoms. In the second O site, O is bonded in a distorted single-bond geometry to one Pr and one B atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Pr and two B atoms. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Pr and two B atoms. In the fifth O site, O is bonded in a distorted single-bond geometry to one Pr and one B atom. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Pr and two B atoms. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Pr and two B atoms. In the eighth O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the ninth O site, O is bonded in a bent 120 degrees geometry to one Pr and two B atoms. In the tenth O site, O is bonded in a distorted bent 120 degrees geometry to one Pr and two B atoms.