Materials Data on Ti2CrSi6 by Materials Project
Abstract
Ti2CrSi6 is Titanium Disilicide-derived structured and crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. Ti3+ is bonded in a distorted q6 geometry to ten Si+1.33- atoms. There are a spread of Ti–Si bond distances ranging from 2.54–2.73 Å. Cr2+ is bonded in a distorted q6 geometry to ten Si+1.33- atoms. There are a spread of Cr–Si bond distances ranging from 2.51–2.71 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 Ti3+, three equivalent Cr2+, and five Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.48–2.69 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 10-coordinate geometry to four equivalent Ti3+, one Cr2+, and five Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.57–2.78 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1217112
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Ti2CrSi6; Cr-Si-Ti
- OSTI Identifier:
- 1740642
- DOI:
- https://doi.org/10.17188/1740642
Citation Formats
The Materials Project. Materials Data on Ti2CrSi6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740642.
The Materials Project. Materials Data on Ti2CrSi6 by Materials Project. United States. doi:https://doi.org/10.17188/1740642
The Materials Project. 2020.
"Materials Data on Ti2CrSi6 by Materials Project". United States. doi:https://doi.org/10.17188/1740642. https://www.osti.gov/servlets/purl/1740642. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1740642,
title = {Materials Data on Ti2CrSi6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti2CrSi6 is Titanium Disilicide-derived structured and crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. Ti3+ is bonded in a distorted q6 geometry to ten Si+1.33- atoms. There are a spread of Ti–Si bond distances ranging from 2.54–2.73 Å. Cr2+ is bonded in a distorted q6 geometry to ten Si+1.33- atoms. There are a spread of Cr–Si bond distances ranging from 2.51–2.71 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 Ti3+, three equivalent Cr2+, and five Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.48–2.69 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 10-coordinate geometry to four equivalent Ti3+, one Cr2+, and five Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.57–2.78 Å.},
doi = {10.17188/1740642},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}