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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mn2CoSi by Materials Project

Mn2CoSi is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Mn, four equivalent Co, and six equivalent Si atoms. All Mn–Mn bond lengths are 2.44 Å. All Mn–Co bond lengths are 2.44 Å. All Mn–Si bond lengths are 2.81 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four equivalent Mn, six equivalent Co, and four equivalent Si atoms. All Mn–Co bond lengths are 2.81 Å. All Mn–Si bond lengths are 2.44 Å. Co is bonded in a 8-coordinate geometry to ten Mn and four equivalent Si atoms. All Co–Si bond lengths are 2.44 Å. Si is bonded in a 8-coordinate geometry to ten Mn and four equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnCoSi by Materials Project

MnCoSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to five equivalent Si4- atoms to form distorted MnSi5 square pyramids that share corners with eight equivalent MnSi5 square pyramids, corners with eight equivalent CoSi4 tetrahedra, edges with six equivalent MnSi5 square pyramids, and edges with six equivalent CoSi4 tetrahedra. There are a spread of Mn–Si bond distances ranging from 2.51–2.54 Å. Co2+ is bonded to four equivalent Si4- atoms to form CoSi4 tetrahedra that share corners with eight equivalent MnSi5 square pyramids, corners with eight equivalent CoSi4 tetrahedra, edges with six equivalent MnSi5 square pyramids, and edges with two equivalent CoSi4 tetrahedra. There are three shorter (2.27 Å) and one longer (2.29 Å) Co–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to five equivalent Mn2+ and four equivalent Co2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnCo2Si by Materials Project

Co2MnSi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mn2+ is bonded in a 8-coordinate geometry to eight equivalent Co1+ and six equivalent Si4- atoms. All Mn–Co bond lengths are 2.44 Å. All Mn–Si bond lengths are 2.82 Å. Co1+ is bonded in a body-centered cubic geometry to four equivalent Mn2+ 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 Mn2+ and eight equivalent Co1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnCo2Si by Materials Project

Co2MnSi crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn2+ is bonded in a 10-coordinate geometry to eight equivalent Co1+ and two equivalent Si4- atoms. All Mn–Co bond lengths are 2.50 Å. Both Mn–Si bond lengths are 2.79 Å. Co1+ is bonded in a distorted body-centered cubic geometry to four equivalent Mn2+ and four equivalent Si4- atoms. All Co–Si bond lengths are 2.40 Å. Si4- is bonded in a 8-coordinate geometry to two equivalent Mn2+ and eight equivalent Co1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnCoSi2 by Materials Project

MnCoSi2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Mn4+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Mn–Si bond distances ranging from 2.29–2.51 Å. Co4+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Co–Si bond distances ranging from 2.29–2.52 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 7-coordinate geometry to four equivalent Mn4+ and three equivalent Co4+ atoms. In the second Si4- site, Si4- is bonded in a 5-coordinate geometry to three equivalent Mn4+ and four equivalent Co4+ atoms.

36 MATERIALS SCIENCE↗