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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ce(BRu)2 by Materials Project

CeRu2B2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to four equivalent Ru and six equivalent B atoms. All Ce–Ru bond lengths are 3.00 Å. There are two shorter (2.84 Å) and four longer (3.05 Å) Ce–B bond lengths. Ru is bonded in a 4-coordinate geometry to two equivalent Ce and four equivalent B atoms. There are two shorter (2.08 Å) and two longer (2.15 Å) Ru–B bond lengths. B is bonded in a 7-coordinate geometry to three equivalent Ce and four equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeB2Ru3 by Materials Project

CeRu3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to two equivalent Ce, twelve equivalent Ru, and six equivalent B atoms. Both Ce–Ce bond lengths are 3.01 Å. All Ce–Ru bond lengths are 3.16 Å. All Ce–B bond lengths are 3.20 Å. Ru is bonded in a distorted square co-planar geometry to four equivalent Ce and four equivalent B atoms. All Ru–B bond lengths are 2.20 Å. B is bonded in a 6-coordinate geometry to three equivalent Ce and six equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(BRu)4 by Materials Project

Ce(RuB)4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent B3- atoms to form distorted CeB12 cuboctahedra that share corners with twelve equivalent RuB5 trigonal bipyramids, edges with twelve equivalent CeB12 cuboctahedra, edges with four equivalent RuB5 trigonal bipyramids, and faces with twelve equivalent RuB5 trigonal bipyramids. There are a spread of Ce–B bond distances ranging from 2.99–3.21 Å. Ru+2.25+ is bonded to five equivalent B3- atoms to form distorted RuB5 trigonal bipyramids that share corners with three equivalent CeB12 cuboctahedra, corners with eight equivalent RuB5 trigonal bipyramids, an edgeedge with one CeB12 cuboctahedra, edges with six equivalent RuB5 trigonal bipyramids, and faces with three equivalent CeB12 cuboctahedra. There are a spread of Ru–B bond distances ranging from 2.14–2.29 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Ce3+, five equivalent Ru+2.25+, and one B3- atom. The B–B bond length is 1.79 Å.

36 MATERIALS SCIENCE↗