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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeThB12 by Materials Project

ThCeB12 is Calcium hexaboride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to twenty-four B atoms. All Th–B bond lengths are 3.02 Å. Ce is bonded in a 8-coordinate geometry to twenty-four B atoms. All Ce–B bond lengths are 3.02 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 1-coordinate geometry to two equivalent Th, two equivalent Ce, and five B atoms. There is one shorter (1.63 Å) and four longer (1.76 Å) B–B bond length. In the second B site, B is bonded in a 1-coordinate geometry to four equivalent Th and five B atoms. The B–B bond length is 1.63 Å. In the third B site, B is bonded in a 1-coordinate geometry to four equivalent Ce and five B atoms. The B–B bond length is 1.63 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeThB8 by Materials Project

ThCeB8 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to eighteen B atoms. There are a spread of Th–B bond distances ranging from 2.77–3.07 Å. Ce is bonded in a 12-coordinate geometry to eighteen B atoms. There are a spread of Ce–B bond distances ranging from 2.75–3.09 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 1-coordinate geometry to two equivalent Th, two equivalent Ce, and five B atoms. There are a spread of B–B bond distances ranging from 1.65–1.79 Å. In the second B site, B is bonded in a 9-coordinate geometry to two equivalent Th, two equivalent Ce, and five B atoms. There are a spread of B–B bond distances ranging from 1.74–1.84 Å. In the third B site, B is bonded in a 9-coordinate geometry to two equivalent Th, two equivalent Ce, and five B atoms. The B–B bond length is 1.74 Å. In the fourth B site, B is bonded in a distorted trigonal planar geometry to four equivalent Th, two equivalent Ce, and three B atoms. The B–B bond length is 1.82 Å. In the fifth B site, B is bonded in a distorted trigonal planar geometry to two equivalent Th, four equivalent Ce, and three B atoms. The B–B bond length is 1.81 Å.

36 MATERIALS SCIENCE↗