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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CrCo2Si by Materials Project

Co2CrSi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cr2+ is bonded in a 8-coordinate geometry to eight equivalent Co1+ and six equivalent Si4- atoms. All Cr–Co bond lengths are 2.44 Å. All Cr–Si bond lengths are 2.82 Å. Co1+ is bonded in a body-centered cubic geometry to four equivalent Cr2+ and four equivalent Si4- atoms. All Co–Si bond lengths are 2.44 Å. Si4- is bonded in a 8-coordinate geometry to six equivalent Cr2+ and eight equivalent Co1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CrCoSi2 by Materials Project

CrCoSi2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Cr6+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Cr–Si bond distances ranging from 2.35–2.54 Å. Co2+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Co–Si bond distances ranging from 2.28–2.55 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 7-coordinate geometry to four equivalent Cr6+ and three equivalent Co2+ atoms. In the second Si4- site, Si4- is bonded in a 7-coordinate geometry to three equivalent Cr6+ and four equivalent Co2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CrCoSi by Materials Project

CoCrSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cr2+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of Cr–Si bond distances ranging from 2.44–2.55 Å. Co2+ is bonded to four equivalent Si4- atoms to form a mixture of corner and edge-sharing CoSi4 tetrahedra. There are a spread of Co–Si bond distances ranging from 2.23–2.26 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Cr2+ and four equivalent Co2+ atoms.

36 MATERIALS SCIENCE↗