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Title: Materials Data on Nb9Co4Ge by Materials Project

Abstract

Nb9Co4Ge is beta Uranium-derived structured and crystallizes in the tetragonal I4/mcm 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 nine Nb and five Co atoms. There are a spread of Nb–Nb bond distances ranging from 2.54–3.13 Å. There are a spread of Nb–Co bond distances ranging from 2.76–2.84 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to four equivalent Nb, three Co, and two equivalent Ge atoms. All Nb–Co bond lengths are 2.73 Å. Both Nb–Ge bond lengths are 2.78 Å. In the third Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb and four equivalent Co atoms. Both Nb–Nb bond lengths are 2.53 Å. All Nb–Co bond lengths are 2.78 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to ten Nb and two equivalent Co atoms to form a mixture of face, edge, and corner-sharing CoNb10Co2 cuboctahedra. Both Co–Co bond lengths are 2.53 Å. In the second Co site, Co is bonded to eight Nb and four Co atoms to form a mixture of face and corner-sharingmore » CoNb8Co4 cuboctahedra. Both Co–Co bond lengths are 2.53 Å. Ge is bonded in a 10-coordinate geometry to eight equivalent Nb and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.53 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-505764
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; Nb9Co4Ge; Co-Ge-Nb
OSTI Identifier:
1262737
DOI:
https://doi.org/10.17188/1262737

Citation Formats

The Materials Project. Materials Data on Nb9Co4Ge by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262737.
The Materials Project. Materials Data on Nb9Co4Ge by Materials Project. United States. doi:https://doi.org/10.17188/1262737
The Materials Project. 2020. "Materials Data on Nb9Co4Ge by Materials Project". United States. doi:https://doi.org/10.17188/1262737. https://www.osti.gov/servlets/purl/1262737. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1262737,
title = {Materials Data on Nb9Co4Ge by Materials Project},
author = {The Materials Project},
abstractNote = {Nb9Co4Ge is beta Uranium-derived structured and crystallizes in the tetragonal I4/mcm 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 nine Nb and five Co atoms. There are a spread of Nb–Nb bond distances ranging from 2.54–3.13 Å. There are a spread of Nb–Co bond distances ranging from 2.76–2.84 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to four equivalent Nb, three Co, and two equivalent Ge atoms. All Nb–Co bond lengths are 2.73 Å. Both Nb–Ge bond lengths are 2.78 Å. In the third Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb and four equivalent Co atoms. Both Nb–Nb bond lengths are 2.53 Å. All Nb–Co bond lengths are 2.78 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to ten Nb and two equivalent Co atoms to form a mixture of face, edge, and corner-sharing CoNb10Co2 cuboctahedra. Both Co–Co bond lengths are 2.53 Å. In the second Co site, Co is bonded to eight Nb and four Co atoms to form a mixture of face and corner-sharing CoNb8Co4 cuboctahedra. Both Co–Co bond lengths are 2.53 Å. Ge is bonded in a 10-coordinate geometry to eight equivalent Nb and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.53 Å.},
doi = {10.17188/1262737},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}