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

Title: Materials Data on Ce3MnBi5 by Materials Project

Abstract

Ce3MnBi5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Ce is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of Ce–Bi bond distances ranging from 3.15–3.51 Å. Mn is bonded to six equivalent Bi atoms to form face-sharing MnBi6 octahedra. All Mn–Bi bond lengths are 2.82 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to five equivalent Ce and two equivalent Mn atoms to form a mixture of distorted corner, edge, and face-sharing BiCe5Mn2 pentagonal bipyramids. In the second Bi site, Bi is bonded in a 6-coordinate geometry to six equivalent Ce and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.22 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-639263
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; Ce3MnBi5; Bi-Ce-Mn
OSTI Identifier:
1279822
DOI:
10.17188/1279822

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ce3MnBi5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279822.
Persson, Kristin, & Project, Materials. Materials Data on Ce3MnBi5 by Materials Project. United States. doi:10.17188/1279822.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ce3MnBi5 by Materials Project". United States. doi:10.17188/1279822. https://www.osti.gov/servlets/purl/1279822. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1279822,
title = {Materials Data on Ce3MnBi5 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ce3MnBi5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Ce is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of Ce–Bi bond distances ranging from 3.15–3.51 Å. Mn is bonded to six equivalent Bi atoms to form face-sharing MnBi6 octahedra. All Mn–Bi bond lengths are 2.82 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded to five equivalent Ce and two equivalent Mn atoms to form a mixture of distorted corner, edge, and face-sharing BiCe5Mn2 pentagonal bipyramids. In the second Bi site, Bi is bonded in a 6-coordinate geometry to six equivalent Ce and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.22 Å.},
doi = {10.17188/1279822},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: