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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CoBW by Materials Project

WCoB crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. W2+ is bonded to five equivalent B3- atoms to form distorted WB5 trigonal bipyramids that share corners with eight equivalent CoB4 tetrahedra, corners with eight equivalent WB5 trigonal bipyramids, edges with six equivalent CoB4 tetrahedra, and edges with six equivalent WB5 trigonal bipyramids. There are a spread of W–B bond distances ranging from 2.38–2.43 Å. Co1+ is bonded to four equivalent B3- atoms to form CoB4 tetrahedra that share corners with eight equivalent CoB4 tetrahedra, corners with eight equivalent WB5 trigonal bipyramids, edges with two equivalent CoB4 tetrahedra, and edges with six equivalent WB5 trigonal bipyramids. There are a spread of Co–B bond distances ranging from 2.10–2.22 Å. B3- is bonded in a 9-coordinate geometry to five equivalent W2+ and four equivalent Co1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co(BW)3 by Materials Project

W3CoB3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent W+2.33+ sites. In the first W+2.33+ site, W+2.33+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of W–B bond distances ranging from 2.36–2.49 Å. In the second W+2.33+ site, W+2.33+ is bonded in a 6-coordinate geometry to six B3- atoms. There are a spread of W–B bond distances ranging from 2.32–2.52 Å. Co2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Co–B bond lengths are 2.07 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to seven W+2.33+ and two equivalent B3- atoms. Both B–B bond lengths are 1.90 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to six W+2.33+, two equivalent Co2+, and one B3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co21(B3W)2 by Materials Project

Co21(WB3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. W is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All W–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 W and three equivalent B atoms to form a mixture of corner and edge-sharing CoB3W 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 2.09 Å. B is bonded in a 8-coordinate geometry to eight Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co(BW)2 by Materials Project

W2CoB2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. W2+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. There are four shorter (2.34 Å) and two longer (2.52 Å) W–B bond lengths. Co2+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Co–B bond lengths are 2.09 Å. B3- is bonded in a 9-coordinate geometry to six equivalent W2+, two equivalent Co2+, and one B3- atom. The B–B bond length is 1.88 Å.

36 MATERIALS SCIENCE↗