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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mn2VSi by Materials Project

Mn2VSi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a distorted body-centered cubic geometry to eight equivalent Mn and six equivalent Si atoms. All V–Mn bond lengths are 2.46 Å. All V–Si bond lengths are 2.84 Å. Mn is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Si atoms. All Mn–Si bond lengths are 2.46 Å. Si is bonded in a body-centered cubic geometry to six equivalent V and eight equivalent Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn(VSi3)2 by Materials Project

Mn(VSi3)2 is Titanium Disilicide-derived structured and crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. V3+ is bonded in a distorted q6 geometry to ten Si+1.33- atoms. There are a spread of V–Si bond distances ranging from 2.47–2.60 Å. Mn2+ is bonded in a distorted q6 geometry to ten Si+1.33- atoms. There are a spread of Mn–Si bond distances ranging from 2.48–2.62 Å. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 10-coordinate geometry to two equivalent V3+, three equivalent Mn2+, and five Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.47–2.60 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 10-coordinate geometry to four equivalent V3+, one Mn2+, and five Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.48–2.63 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3V2Si3 by Materials Project

V2Mn3Si3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. V3+ is bonded to six Si4- atoms to form a mixture of distorted corner, edge, and face-sharing VSi6 octahedra. The corner-sharing octahedral tilt angles are 39°. All V–Si bond lengths are 2.51 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a distorted pentagonal planar geometry to five Si4- atoms. There are a spread of Mn–Si bond distances ranging from 2.39–2.54 Å. In the second Mn2+ site, Mn2+ is bonded in a distorted pentagonal planar geometry to five Si4- atoms. There are a spread of Mn–Si bond distances ranging from 2.38–2.54 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent V3+ and five Mn2+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent V3+ and five Mn2+ atoms.

36 MATERIALS SCIENCE↗