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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on VSi4Mo by Materials Project

VMoSi4 is Titanium Disilicide-derived structured and crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are three inequivalent V2+ sites. In the first V2+ site, V2+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are a spread of V–Si bond distances ranging from 2.50–2.71 Å. In the second V2+ site, V2+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are a spread of V–Si bond distances ranging from 2.52–2.72 Å. In the third V2+ site, V2+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are a spread of V–Si bond distances ranging from 2.50–2.71 Å. There are three inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are a spread of Mo–Si bond distances ranging from 2.56–2.69 Å. In the second Mo6+ site, Mo6+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are a spread of Mo–Si bond distances ranging from 2.55–2.68 Å. In the third Mo6+ site, Mo6+ is bonded in a distorted q6 geometry to ten Si2- atoms. There are a spread of Mo–Si bond distances ranging from 2.55–2.69 Å. There are six inequivalent Si2- sites. In the first Si2- site, Si2- is bonded in a 10-coordinate geometry to one V2+, four Mo6+, and five Si2- atoms. There are a spread of Si–Si bond distances ranging from 2.51–2.71 Å. In the second Si2- site, Si2- is bonded in a 10-coordinate geometry to two V2+, three equivalent Mo6+, and five Si2- atoms. There are a spread of Si–Si bond distances ranging from 2.51–2.70 Å. In the third Si2- site, Si2- is bonded in a 10-coordinate geometry to one V2+, four Mo6+, and five Si2- atoms. There are a spread of Si–Si bond distances ranging from 2.50–2.71 Å. In the fourth Si2- site, Si2- is bonded in a 10-coordinate geometry to four V2+, one Mo6+, and five Si2- atoms. There are a spread of Si–Si bond distances ranging from 2.46–2.74 Å. In the fifth Si2- site, Si2- is bonded in a 10-coordinate geometry to three equivalent V2+, two Mo6+, and five Si2- atoms. There are a spread of Si–Si bond distances ranging from 2.57–2.73 Å. In the sixth Si2- site, Si2- is bonded in a 10-coordinate geometry to four V2+, one Mo6+, and five Si2- atoms. There are a spread of Si–Si bond distances ranging from 2.59–2.72 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VSi3Mo4 by Materials Project

Mo4VSi3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. V4+ is bonded to four equivalent Si4- atoms to form VSi4 tetrahedra that share corners with sixteen equivalent MoSi6 pentagonal pyramids, edges with eight equivalent MoSi6 pentagonal pyramids, and edges with two equivalent VSi4 tetrahedra. All V–Si bond lengths are 2.53 Å. Mo2+ is bonded to six Si4- atoms to form distorted MoSi6 pentagonal pyramids that share corners with fifteen equivalent MoSi6 pentagonal pyramids, corners with four equivalent VSi4 tetrahedra, edges with three equivalent MoSi6 pentagonal pyramids, edges with two equivalent VSi4 tetrahedra, and faces with seven equivalent MoSi6 pentagonal pyramids. There are a spread of Mo–Si bond distances ranging from 2.57–2.77 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to eight equivalent Mo2+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.42 Å. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to two equivalent V4+ and eight equivalent Mo2+ atoms.

36 MATERIALS SCIENCE↗