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Title: Materials Data on V5Si3 by Materials Project

Abstract

V5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent V+2.40+ sites. In the first V+2.40+ site, V+2.40+ is bonded to six Si4- atoms to form a mixture of distorted face, edge, and corner-sharing VSi6 pentagonal pyramids. There are a spread of V–Si bond distances ranging from 2.49–2.72 Å. In the second V+2.40+ site, V+2.40+ is bonded in a distorted hexagonal planar geometry to two equivalent V+2.40+ and four equivalent Si4- atoms. Both V–V bond lengths are 2.36 Å. All V–Si bond lengths are 2.51 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to ten V+2.40+ atoms. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to eight equivalent V+2.40+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.36 Å.

Publication Date:
Other Number(s):
mp-568671
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; V5Si3; Si-V
OSTI Identifier:
1274636
DOI:
10.17188/1274636

Citation Formats

The Materials Project. Materials Data on V5Si3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274636.
The Materials Project. Materials Data on V5Si3 by Materials Project. United States. doi:10.17188/1274636.
The Materials Project. 2020. "Materials Data on V5Si3 by Materials Project". United States. doi:10.17188/1274636. https://www.osti.gov/servlets/purl/1274636. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1274636,
title = {Materials Data on V5Si3 by Materials Project},
author = {The Materials Project},
abstractNote = {V5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent V+2.40+ sites. In the first V+2.40+ site, V+2.40+ is bonded to six Si4- atoms to form a mixture of distorted face, edge, and corner-sharing VSi6 pentagonal pyramids. There are a spread of V–Si bond distances ranging from 2.49–2.72 Å. In the second V+2.40+ site, V+2.40+ is bonded in a distorted hexagonal planar geometry to two equivalent V+2.40+ and four equivalent Si4- atoms. Both V–V bond lengths are 2.36 Å. All V–Si bond lengths are 2.51 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to ten V+2.40+ atoms. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to eight equivalent V+2.40+ and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.36 Å.},
doi = {10.17188/1274636},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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