Title: Materials Data on Ti4V by Materials Project

Abstract

Ti4V crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to two equivalent Ti and two equivalent V atoms. Both Ti–Ti bond lengths are 2.93 Å. Both Ti–V bond lengths are 2.61 Å. In the second Ti site, Ti is bonded in a distorted body-centered cubic geometry to eight Ti atoms. There are four shorter (2.77 Å) and two longer (2.80 Å) Ti–Ti bond lengths. V is bonded in a 12-coordinate geometry to four equivalent Ti atoms.

Publication Date:
Other Number(s):
mp-1217117
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; Ti-V; Ti4V
OSTI Identifier:
1698950
DOI:
https://doi.org/10.17188/1698950

Citation Formats

Materials Data on Ti4V by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1698950.
Materials Data on Ti4V by Materials Project. United States. doi:https://doi.org/10.17188/1698950
2020. "Materials Data on Ti4V by Materials Project". United States. doi:https://doi.org/10.17188/1698950. https://www.osti.gov/servlets/purl/1698950. Pub date:Fri May 01 20:00:00 EDT 2020
@article{osti_1698950,
title = {Materials Data on Ti4V by Materials Project},
abstractNote = {Ti4V crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to two equivalent Ti and two equivalent V atoms. Both Ti–Ti bond lengths are 2.93 Å. Both Ti–V bond lengths are 2.61 Å. In the second Ti site, Ti is bonded in a distorted body-centered cubic geometry to eight Ti atoms. There are four shorter (2.77 Å) and two longer (2.80 Å) Ti–Ti bond lengths. V is bonded in a 12-coordinate geometry to four equivalent Ti atoms.},
doi = {10.17188/1698950},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}