DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Nb5Ge4 by Materials Project

Abstract

Nb5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.73–2.97 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.57–2.78 Å. In the third Nb site, Nb is bonded to six Ge atoms to form distorted corner-sharing NbGe6 octahedra. The corner-sharing octahedra tilt angles range from 42–58°. There are a spread of Nb–Ge bond distances ranging from 2.58–2.79 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Nb and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to eight Nb atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Nb and one Ge atom.

Publication Date:
Other Number(s):
mp-21681
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; Nb5Ge4; Ge-Nb
OSTI Identifier:
1197112
DOI:
https://doi.org/10.17188/1197112

Citation Formats

The Materials Project. Materials Data on Nb5Ge4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197112.
The Materials Project. Materials Data on Nb5Ge4 by Materials Project. United States. doi:https://doi.org/10.17188/1197112
The Materials Project. 2020. "Materials Data on Nb5Ge4 by Materials Project". United States. doi:https://doi.org/10.17188/1197112. https://www.osti.gov/servlets/purl/1197112. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1197112,
title = {Materials Data on Nb5Ge4 by Materials Project},
author = {The Materials Project},
abstractNote = {Nb5Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.73–2.97 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Nb–Ge bond distances ranging from 2.57–2.78 Å. In the third Nb site, Nb is bonded to six Ge atoms to form distorted corner-sharing NbGe6 octahedra. The corner-sharing octahedra tilt angles range from 42–58°. There are a spread of Nb–Ge bond distances ranging from 2.58–2.79 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to eight Nb and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to eight Nb atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to eight Nb and one Ge atom.},
doi = {10.17188/1197112},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}