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Title: Materials Data on Zr(V3Ge2)3 by Materials Project

Abstract

Zr(V3Ge2)3 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to two equivalent V and four equivalent Ge atoms. Both Zr–V bond lengths are 2.45 Å. All Zr–Ge bond lengths are 2.70 Å. There are two inequivalent V sites. In the first V site, V is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of V–Ge bond distances ranging from 2.55–2.88 Å. In the second V site, V is bonded in a 6-coordinate geometry to two equivalent Zr and four equivalent Ge atoms. All V–Ge bond lengths are 2.64 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to eight equivalent V and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.45 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to one Zr and nine V atoms.

Publication Date:
Other Number(s):
mp-1215725
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; Zr(V3Ge2)3; Ge-V-Zr
OSTI Identifier:
1729659
DOI:
https://doi.org/10.17188/1729659

Citation Formats

The Materials Project. Materials Data on Zr(V3Ge2)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1729659.
The Materials Project. Materials Data on Zr(V3Ge2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1729659
The Materials Project. 2019. "Materials Data on Zr(V3Ge2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1729659. https://www.osti.gov/servlets/purl/1729659. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1729659,
title = {Materials Data on Zr(V3Ge2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr(V3Ge2)3 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to two equivalent V and four equivalent Ge atoms. Both Zr–V bond lengths are 2.45 Å. All Zr–Ge bond lengths are 2.70 Å. There are two inequivalent V sites. In the first V site, V is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of V–Ge bond distances ranging from 2.55–2.88 Å. In the second V site, V is bonded in a 6-coordinate geometry to two equivalent Zr and four equivalent Ge atoms. All V–Ge bond lengths are 2.64 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to eight equivalent V and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.45 Å. In the second Ge site, Ge is bonded in a 10-coordinate geometry to one Zr and nine V atoms.},
doi = {10.17188/1729659},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}