Materials Data on Ce3MnBi5 by Materials Project

Dataset · Sat Jul 18 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1279822· OSTI ID:1279822

The Materials Project

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.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1279822
• Report Number(s): mp-639263
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Ce3MnBi5
Bi-Ce-Mn