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Title: Materials Data on Hf2Nb3Ge4 by Materials Project

Abstract

Hf2Nb3Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Hf–Ge bond distances ranging from 2.77–2.98 Å. There are two inequivalent Nb sites. In the first 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 2.59–2.76 Å. In the second Nb site, Nb is bonded to six Ge atoms to form distorted corner-sharing NbGe6 octahedra. The corner-sharing octahedra tilt angles range from 45–55°. There are a spread of Nb–Ge bond distances ranging from 2.65–2.81 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Hf, four Nb, and one Ge atom. The Ge–Ge bond length is 2.60 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Hf and four Nb atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Hf, six Nb, and one Ge atom.

Publication Date:
Other Number(s):
mp-672696
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; Hf2Nb3Ge4; Ge-Hf-Nb
OSTI Identifier:
1281906
DOI:
10.17188/1281906

Citation Formats

The Materials Project. Materials Data on Hf2Nb3Ge4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281906.
The Materials Project. Materials Data on Hf2Nb3Ge4 by Materials Project. United States. doi:10.17188/1281906.
The Materials Project. 2020. "Materials Data on Hf2Nb3Ge4 by Materials Project". United States. doi:10.17188/1281906. https://www.osti.gov/servlets/purl/1281906. Pub date:Tue Jul 21 00:00:00 EDT 2020
@article{osti_1281906,
title = {Materials Data on Hf2Nb3Ge4 by Materials Project},
author = {The Materials Project},
abstractNote = {Hf2Nb3Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Hf–Ge bond distances ranging from 2.77–2.98 Å. There are two inequivalent Nb sites. In the first 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 2.59–2.76 Å. In the second Nb site, Nb is bonded to six Ge atoms to form distorted corner-sharing NbGe6 octahedra. The corner-sharing octahedra tilt angles range from 45–55°. There are a spread of Nb–Ge bond distances ranging from 2.65–2.81 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Hf, four Nb, and one Ge atom. The Ge–Ge bond length is 2.60 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Hf and four Nb atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Hf, six Nb, and one Ge atom.},
doi = {10.17188/1281906},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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