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Title: Materials Data on BaCuBi by Materials Project

Abstract

BaCuBi is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to six equivalent Cu and six equivalent Bi atoms to form a mixture of face and edge-sharing BaCu6Bi6 cuboctahedra. All Ba–Cu bond lengths are 3.66 Å. All Ba–Bi bond lengths are 3.66 Å. Cu is bonded in a 3-coordinate geometry to six equivalent Ba and three equivalent Bi atoms. All Cu–Bi bond lengths are 2.75 Å. Bi is bonded in a 3-coordinate geometry to six equivalent Ba and three equivalent Cu atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1205459
Report Number(s):
mp-31145
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; BaCuBi; Ba-Bi-Cu

Citation Formats

The Materials Project. Materials Data on BaCuBi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205459.
The Materials Project. Materials Data on BaCuBi by Materials Project. United States. https://doi.org/10.17188/1205459
The Materials Project. 2020. "Materials Data on BaCuBi by Materials Project". United States. https://doi.org/10.17188/1205459. https://www.osti.gov/servlets/purl/1205459.
@article{osti_1205459,
title = {Materials Data on BaCuBi by Materials Project},
author = {The Materials Project},
abstractNote = {BaCuBi is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to six equivalent Cu and six equivalent Bi atoms to form a mixture of face and edge-sharing BaCu6Bi6 cuboctahedra. All Ba–Cu bond lengths are 3.66 Å. All Ba–Bi bond lengths are 3.66 Å. Cu is bonded in a 3-coordinate geometry to six equivalent Ba and three equivalent Bi atoms. All Cu–Bi bond lengths are 2.75 Å. Bi is bonded in a 3-coordinate geometry to six equivalent Ba and three equivalent Cu atoms.},
doi = {10.17188/1205459},
url = {https://www.osti.gov/biblio/1205459}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}