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Title: Materials Data on TiB2W by Materials Project

Abstract

TiWB2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ti4+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Ti–B bond distances ranging from 2.33–2.47 Å. W2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of W–B bond distances ranging from 2.33–2.47 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Ti4+, four equivalent W2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.85 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Ti4+, three equivalent W2+, and two equivalent B3- atoms.

Publication Date:
Other Number(s):
mp-1217023
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; TiB2W; B-Ti-W
OSTI Identifier:
1753961
DOI:
https://doi.org/10.17188/1753961

Citation Formats

The Materials Project. Materials Data on TiB2W by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753961.
The Materials Project. Materials Data on TiB2W by Materials Project. United States. doi:https://doi.org/10.17188/1753961
The Materials Project. 2020. "Materials Data on TiB2W by Materials Project". United States. doi:https://doi.org/10.17188/1753961. https://www.osti.gov/servlets/purl/1753961. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1753961,
title = {Materials Data on TiB2W by Materials Project},
author = {The Materials Project},
abstractNote = {TiWB2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ti4+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Ti–B bond distances ranging from 2.33–2.47 Å. W2+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of W–B bond distances ranging from 2.33–2.47 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Ti4+, four equivalent W2+, and two equivalent B3- atoms. Both B–B bond lengths are 1.85 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Ti4+, three equivalent W2+, and two equivalent B3- atoms.},
doi = {10.17188/1753961},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}