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Title: Materials Data on TiVB4 by Materials Project

Abstract

TiVB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ti4+ is bonded to twelve equivalent B+1.50- atoms to form TiB12 cuboctahedra that share edges with twelve equivalent VB12 cuboctahedra, faces with two equivalent VB12 cuboctahedra, and faces with six equivalent TiB12 cuboctahedra. All Ti–B bond lengths are 2.37 Å. V2+ is bonded to twelve equivalent B+1.50- atoms to form VB12 cuboctahedra that share edges with twelve equivalent TiB12 cuboctahedra, faces with two equivalent TiB12 cuboctahedra, and faces with six equivalent VB12 cuboctahedra. All V–B bond lengths are 2.31 Å. B+1.50- is bonded in a 9-coordinate geometry to three equivalent Ti4+, three equivalent V2+, and three equivalent B+1.50- atoms. All B–B bond lengths are 1.74 Å.

Publication Date:
Other Number(s):
mp-1216667
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; TiVB4; B-Ti-V
OSTI Identifier:
1663751
DOI:
https://doi.org/10.17188/1663751

Citation Formats

The Materials Project. Materials Data on TiVB4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663751.
The Materials Project. Materials Data on TiVB4 by Materials Project. United States. doi:https://doi.org/10.17188/1663751
The Materials Project. 2020. "Materials Data on TiVB4 by Materials Project". United States. doi:https://doi.org/10.17188/1663751. https://www.osti.gov/servlets/purl/1663751. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1663751,
title = {Materials Data on TiVB4 by Materials Project},
author = {The Materials Project},
abstractNote = {TiVB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ti4+ is bonded to twelve equivalent B+1.50- atoms to form TiB12 cuboctahedra that share edges with twelve equivalent VB12 cuboctahedra, faces with two equivalent VB12 cuboctahedra, and faces with six equivalent TiB12 cuboctahedra. All Ti–B bond lengths are 2.37 Å. V2+ is bonded to twelve equivalent B+1.50- atoms to form VB12 cuboctahedra that share edges with twelve equivalent TiB12 cuboctahedra, faces with two equivalent TiB12 cuboctahedra, and faces with six equivalent VB12 cuboctahedra. All V–B bond lengths are 2.31 Å. B+1.50- is bonded in a 9-coordinate geometry to three equivalent Ti4+, three equivalent V2+, and three equivalent B+1.50- atoms. All B–B bond lengths are 1.74 Å.},
doi = {10.17188/1663751},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}