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

Title: Materials Data on BaNaBi by Materials Project

Abstract

NaBaBi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Na is bonded to four Bi atoms to form a mixture of distorted edge and corner-sharing NaBi4 tetrahedra. There are two shorter (3.33 Å) and two longer (3.40 Å) Na–Bi bond lengths. Ba is bonded in a 5-coordinate geometry to five Bi atoms. There are one shorter (3.65 Å) and four longer (3.68 Å) Ba–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to six equivalent Na and three equivalent Ba atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to three equivalent Na and six equivalent Ba atoms.

Publication Date:
Other Number(s):
mp-31235
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; BaNaBi; Ba-Bi-Na
OSTI Identifier:
1205526
DOI:
10.17188/1205526

Citation Formats

The Materials Project. Materials Data on BaNaBi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205526.
The Materials Project. Materials Data on BaNaBi by Materials Project. United States. doi:10.17188/1205526.
The Materials Project. 2020. "Materials Data on BaNaBi by Materials Project". United States. doi:10.17188/1205526. https://www.osti.gov/servlets/purl/1205526. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205526,
title = {Materials Data on BaNaBi by Materials Project},
author = {The Materials Project},
abstractNote = {NaBaBi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Na is bonded to four Bi atoms to form a mixture of distorted edge and corner-sharing NaBi4 tetrahedra. There are two shorter (3.33 Å) and two longer (3.40 Å) Na–Bi bond lengths. Ba is bonded in a 5-coordinate geometry to five Bi atoms. There are one shorter (3.65 Å) and four longer (3.68 Å) Ba–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to six equivalent Na and three equivalent Ba atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to three equivalent Na and six equivalent Ba atoms.},
doi = {10.17188/1205526},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: