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Title: Materials Data on V10(SiGe)3 by Materials Project

Abstract

V10(GeSi)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded in a 8-coordinate geometry to two equivalent V, three equivalent Ge, and three equivalent Si atoms. There are one shorter (2.40 Å) and one longer (2.50 Å) V–V bond lengths. All V–Ge bond lengths are 2.54 Å. All V–Si bond lengths are 2.52 Å. In the second V site, V is bonded in a 5-coordinate geometry to three equivalent Ge and two equivalent Si atoms. There are two shorter (2.48 Å) and one longer (2.58 Å) V–Ge bond lengths. Both V–Si bond lengths are 2.65 Å. In the third V site, V is bonded in a 5-coordinate geometry to two equivalent Ge and three equivalent Si atoms. Both V–Ge bond lengths are 2.67 Å. There are two shorter (2.46 Å) and one longer (2.62 Å) V–Si bond lengths. Ge is bonded in a 9-coordinate geometry to nine V atoms. Si is bonded in a 9-coordinate geometry to nine V atoms.

Authors:
Publication Date:
Other Number(s):
mp-1216700
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; V10(SiGe)3; Ge-Si-V
OSTI Identifier:
1663642
DOI:
https://doi.org/10.17188/1663642

Citation Formats

The Materials Project. Materials Data on V10(SiGe)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663642.
The Materials Project. Materials Data on V10(SiGe)3 by Materials Project. United States. doi:https://doi.org/10.17188/1663642
The Materials Project. 2020. "Materials Data on V10(SiGe)3 by Materials Project". United States. doi:https://doi.org/10.17188/1663642. https://www.osti.gov/servlets/purl/1663642. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1663642,
title = {Materials Data on V10(SiGe)3 by Materials Project},
author = {The Materials Project},
abstractNote = {V10(GeSi)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are three inequivalent V sites. In the first V site, V is bonded in a 8-coordinate geometry to two equivalent V, three equivalent Ge, and three equivalent Si atoms. There are one shorter (2.40 Å) and one longer (2.50 Å) V–V bond lengths. All V–Ge bond lengths are 2.54 Å. All V–Si bond lengths are 2.52 Å. In the second V site, V is bonded in a 5-coordinate geometry to three equivalent Ge and two equivalent Si atoms. There are two shorter (2.48 Å) and one longer (2.58 Å) V–Ge bond lengths. Both V–Si bond lengths are 2.65 Å. In the third V site, V is bonded in a 5-coordinate geometry to two equivalent Ge and three equivalent Si atoms. Both V–Ge bond lengths are 2.67 Å. There are two shorter (2.46 Å) and one longer (2.62 Å) V–Si bond lengths. Ge is bonded in a 9-coordinate geometry to nine V atoms. Si is bonded in a 9-coordinate geometry to nine V atoms.},
doi = {10.17188/1663642},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}