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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Co2Si by Materials Project

Co2Si is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of Co–Si bond distances ranging from 2.29–2.60 Å. In the second Co2+ site, Co2+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of Co–Si bond distances ranging from 2.33–2.57 Å. Si4- is bonded in a 10-coordinate geometry to ten Co2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoSi by Materials Project

CoSi is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Co4+ is bonded in a body-centered cubic geometry to eight equivalent Si4- atoms. All Co–Si bond lengths are 2.41 Å. Si4- is bonded in a body-centered cubic geometry to eight equivalent Co4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoSi2 by Materials Project

CoSi2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Co is bonded in a body-centered cubic geometry to eight equivalent Si atoms. All Co–Si bond lengths are 2.32 Å. Si is bonded to four equivalent Co atoms to form a mixture of distorted edge and corner-sharing SiCo4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoSi by Materials Project

CoSi crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Co4+ is bonded in a 7-coordinate geometry to seven equivalent Si4- atoms. There are a spread of Co–Si bond distances ranging from 2.32–2.43 Å. Si4- is bonded in a 7-coordinate geometry to seven equivalent Co4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co2Si3 by Materials Project

Co2Si3 is Magnesium tetraboride-like structured and crystallizes in the tetragonal P-4c2 space group. The structure is three-dimensional. there are three inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a 6-coordinate geometry to eight Si+1.33- atoms. There are a spread of Co–Si bond distances ranging from 2.24–2.72 Å. In the second Co2+ site, Co2+ is bonded in a 6-coordinate geometry to six Si+1.33- atoms. There are four shorter (2.24 Å) and two longer (2.50 Å) Co–Si bond lengths. In the third Co2+ site, Co2+ is bonded in a 8-coordinate geometry to eight Si+1.33- atoms. There are four shorter (2.30 Å) and four longer (2.48 Å) Co–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 4-coordinate geometry to five Co2+ and one Si+1.33- atom. The Si–Si bond length is 2.61 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 2-coordinate geometry to five Co2+ and three Si+1.33- atoms. The Si–Si bond length is 2.63 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co3Si by Materials Project

Co3Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Co+1.33+ is bonded in a see-saw-like geometry to four equivalent Si4- atoms. There are two shorter (2.45 Å) and two longer (2.49 Å) Co–Si bond lengths. Si4- is bonded to twelve equivalent Co+1.33+ atoms to form a mixture of face and corner-sharing SiCo12 cuboctahedra.

36 MATERIALS SCIENCE↗