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Title: Materials Data on Ti2Si6W by Materials Project

Abstract

Ti2WSi6 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 2.56–2.79 Å. W2+ is bonded in a distorted q6 geometry to ten Si+1.33- atoms. There are a spread of W–Si bond distances ranging from 2.59–2.74 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 W2+, and five Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.54–2.74 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 10-coordinate geometry to four equivalent Ti3+, one W2+, and five Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.54–2.82 Å.

Publication Date:
Other Number(s):
mp-1217077
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ti2Si6W; Si-Ti-W
OSTI Identifier:
1677307
DOI:
https://doi.org/10.17188/1677307

Citation Formats

The Materials Project. Materials Data on Ti2Si6W by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677307.
The Materials Project. Materials Data on Ti2Si6W by Materials Project. United States. doi:https://doi.org/10.17188/1677307
The Materials Project. 2020. "Materials Data on Ti2Si6W by Materials Project". United States. doi:https://doi.org/10.17188/1677307. https://www.osti.gov/servlets/purl/1677307. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1677307,
title = {Materials Data on Ti2Si6W by Materials Project},
author = {The Materials Project},
abstractNote = {Ti2WSi6 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 2.56–2.79 Å. W2+ is bonded in a distorted q6 geometry to ten Si+1.33- atoms. There are a spread of W–Si bond distances ranging from 2.59–2.74 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 W2+, and five Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.54–2.74 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 10-coordinate geometry to four equivalent Ti3+, one W2+, and five Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.54–2.82 Å.},
doi = {10.17188/1677307},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}