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Title: Materials Data on Nb2Co3Ge by Materials Project

Abstract

Nb2Co3Ge crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 12-coordinate geometry to four equivalent Nb, nine equivalent Co, and three equivalent Ge atoms. There are one shorter (2.90 Å) and three longer (2.98 Å) Nb–Nb bond lengths. There are three shorter (2.76 Å) and six longer (2.85 Å) Nb–Co bond lengths. All Nb–Ge bond lengths are 2.87 Å. Co is bonded to six equivalent Nb, four equivalent Co, and two equivalent Ge atoms to form distorted CoNb6Co4Ge2 cuboctahedra that share corners with four equivalent GeNb6Co6 cuboctahedra, corners with fourteen equivalent CoNb6Co4Ge2 cuboctahedra, edges with six equivalent CoNb6Co4Ge2 cuboctahedra, faces with six equivalent GeNb6Co6 cuboctahedra, and faces with twelve equivalent CoNb6Co4Ge2 cuboctahedra. There are two shorter (2.37 Å) and two longer (2.53 Å) Co–Co bond lengths. Both Co–Ge bond lengths are 2.41 Å. Ge is bonded to six equivalent Nb and six equivalent Co atoms to form GeNb6Co6 cuboctahedra that share corners with twelve equivalent CoNb6Co4Ge2 cuboctahedra, edges with six equivalent GeNb6Co6 cuboctahedra, faces with two equivalent GeNb6Co6 cuboctahedra, and faces with eighteen equivalent CoNb6Co4Ge2 cuboctahedra.

Publication Date:
Other Number(s):
mp-1220720
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; Nb2Co3Ge; Co-Ge-Nb
OSTI Identifier:
1707389
DOI:
https://doi.org/10.17188/1707389

Citation Formats

The Materials Project. Materials Data on Nb2Co3Ge by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707389.
The Materials Project. Materials Data on Nb2Co3Ge by Materials Project. United States. doi:https://doi.org/10.17188/1707389
The Materials Project. 2020. "Materials Data on Nb2Co3Ge by Materials Project". United States. doi:https://doi.org/10.17188/1707389. https://www.osti.gov/servlets/purl/1707389. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1707389,
title = {Materials Data on Nb2Co3Ge by Materials Project},
author = {The Materials Project},
abstractNote = {Nb2Co3Ge crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 12-coordinate geometry to four equivalent Nb, nine equivalent Co, and three equivalent Ge atoms. There are one shorter (2.90 Å) and three longer (2.98 Å) Nb–Nb bond lengths. There are three shorter (2.76 Å) and six longer (2.85 Å) Nb–Co bond lengths. All Nb–Ge bond lengths are 2.87 Å. Co is bonded to six equivalent Nb, four equivalent Co, and two equivalent Ge atoms to form distorted CoNb6Co4Ge2 cuboctahedra that share corners with four equivalent GeNb6Co6 cuboctahedra, corners with fourteen equivalent CoNb6Co4Ge2 cuboctahedra, edges with six equivalent CoNb6Co4Ge2 cuboctahedra, faces with six equivalent GeNb6Co6 cuboctahedra, and faces with twelve equivalent CoNb6Co4Ge2 cuboctahedra. There are two shorter (2.37 Å) and two longer (2.53 Å) Co–Co bond lengths. Both Co–Ge bond lengths are 2.41 Å. Ge is bonded to six equivalent Nb and six equivalent Co atoms to form GeNb6Co6 cuboctahedra that share corners with twelve equivalent CoNb6Co4Ge2 cuboctahedra, edges with six equivalent GeNb6Co6 cuboctahedra, faces with two equivalent GeNb6Co6 cuboctahedra, and faces with eighteen equivalent CoNb6Co4Ge2 cuboctahedra.},
doi = {10.17188/1707389},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}