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.