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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Co2B4Mo by Materials Project

MoCo2B4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Mo2+ is bonded to twelve B+1.50- atoms to form a mixture of edge and face-sharing MoB12 cuboctahedra. There are eight shorter (2.35 Å) and four longer (2.43 Å) Mo–B bond lengths. Co2+ is bonded in a 7-coordinate geometry to seven B+1.50- atoms. There are a spread of Co–B bond distances ranging from 2.03–2.20 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Mo2+, two equivalent Co2+, and three B+1.50- atoms. There is two shorter (1.79 Å) and one longer (1.87 Å) B–B bond length. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Mo2+, five equivalent Co2+, and two equivalent B+1.50- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoBMo by Materials Project

CoMoB crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mo2+ is bonded to five equivalent B3- atoms to form distorted MoB5 trigonal bipyramids that share corners with eight equivalent CoB4 tetrahedra, corners with eight equivalent MoB5 trigonal bipyramids, edges with six equivalent CoB4 tetrahedra, and edges with six equivalent MoB5 trigonal bipyramids. There are four shorter (2.39 Å) and one longer (2.43 Å) Mo–B bond lengths. Co1+ is bonded to four equivalent B3- atoms to form CoB4 tetrahedra that share corners with eight equivalent CoB4 tetrahedra, corners with eight equivalent MoB5 trigonal bipyramids, edges with two equivalent CoB4 tetrahedra, and edges with six equivalent MoB5 trigonal bipyramids. There are a spread of Co–B bond distances ranging from 2.08–2.23 Å. B3- is bonded in a 9-coordinate geometry to five equivalent Mo2+ and four equivalent Co1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co21(B3Mo)2 by Materials Project

Co21(MoB3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mo is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All Mo–Co bond lengths are 2.39 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All Co–Co bond lengths are 2.50 Å. In the second Co site, Co is bonded to one Mo and three equivalent B atoms to form a mixture of corner and edge-sharing CoB3Mo tetrahedra. All Co–B bond lengths are 2.07 Å. In the third Co site, Co is bonded in a distorted bent 150 degrees geometry to one Co and two equivalent B atoms. Both Co–B bond lengths are 2.08 Å. B is bonded in a 8-coordinate geometry to eight Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co(BMo)2 by Materials Project

CoMo2B2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Mo2+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. There are four shorter (2.33 Å) and two longer (2.53 Å) Mo–B bond lengths. Co2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Co–B bond lengths are 2.08 Å. B3- is bonded in a 9-coordinate geometry to six equivalent Mo2+, two equivalent Co2+, and one B3- atom. The B–B bond length is 1.87 Å.

36 MATERIALS SCIENCE↗