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DOE OSTI2020

Materials Data on Co3W by Materials Project

Co3W is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W is bonded to twelve Co atoms to form WCo12 cuboctahedra that share corners with six equivalent WCo12 cuboctahedra, corners with twelve CoCo8W4 cuboctahedra, edges with eighteen CoCo8W4 cuboctahedra, faces with eight equivalent WCo12 cuboctahedra, and faces with twelve CoCo8W4 cuboctahedra. There are six shorter (2.55 Å) and six longer (2.56 Å) W–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent W and eight Co atoms to form distorted CoCo8W4 cuboctahedra that share corners with four equivalent WCo12 cuboctahedra, corners with fourteen CoCo8W4 cuboctahedra, edges with six equivalent WCo12 cuboctahedra, edges with twelve CoCo8W4 cuboctahedra, faces with four equivalent WCo12 cuboctahedra, and faces with sixteen CoCo8W4 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.48–2.63 Å. In the second Co site, Co is bonded to four equivalent W and eight equivalent Co atoms to form distorted CoCo8W4 cuboctahedra that share corners with four equivalent WCo12 cuboctahedra, corners with fourteen CoCo8W4 cuboctahedra, edges with six equivalent WCo12 cuboctahedra, edges with twelve equivalent CoCo8W4 cuboctahedra, faces with four equivalent WCo12 cuboctahedra, and faces with sixteen CoCo8W4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoW by Materials Project

Co(W) is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. W is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All W–Co bond lengths are 2.60 Å. Co is bonded in a body-centered cubic geometry to eight equivalent W atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co3W by Materials Project

Co3W is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. W is bonded to twelve equivalent Co atoms to form WCo12 cuboctahedra that share corners with twelve equivalent WCo12 cuboctahedra, edges with twenty-four equivalent CoCo8W4 cuboctahedra, faces with six equivalent WCo12 cuboctahedra, and faces with twelve equivalent CoCo8W4 cuboctahedra. All W–Co bond lengths are 2.55 Å. Co is bonded to four equivalent W and eight equivalent Co atoms to form distorted CoCo8W4 cuboctahedra that share corners with twelve equivalent CoCo8W4 cuboctahedra, edges with eight equivalent WCo12 cuboctahedra, edges with sixteen equivalent CoCo8W4 cuboctahedra, faces with four equivalent WCo12 cuboctahedra, and faces with fourteen equivalent CoCo8W4 cuboctahedra. All Co–Co bond lengths are 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoW3 by Materials Project

W3Co is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. W is bonded to eight equivalent W and four equivalent Co atoms to form distorted WCo4W8 cuboctahedra that share corners with twelve equivalent WCo4W8 cuboctahedra, edges with eight equivalent CoW12 cuboctahedra, edges with sixteen equivalent WCo4W8 cuboctahedra, faces with four equivalent CoW12 cuboctahedra, and faces with fourteen equivalent WCo4W8 cuboctahedra. All W–W bond lengths are 2.76 Å. All W–Co bond lengths are 2.76 Å. Co is bonded to twelve equivalent W atoms to form CoW12 cuboctahedra that share corners with twelve equivalent CoW12 cuboctahedra, edges with twenty-four equivalent WCo4W8 cuboctahedra, faces with six equivalent CoW12 cuboctahedra, and faces with twelve equivalent WCo4W8 cuboctahedra.

36 MATERIALS SCIENCE↗