Materials Data on La3MnBi5 by Materials Project

Dataset · Tue Jun 04 00:00:00 EDT 2019

DOI:https://doi.org/10.17188/1274125· OSTI ID:1274125

The Materials Project

La3MnBi5 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of La–Bi bond distances ranging from 3.28–3.68 Å. Mn is bonded to six equivalent Bi atoms to form face-sharing MnBi6 octahedra. All Mn–Bi bond lengths are 2.96 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to six equivalent La and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.23 Å. In the second Bi site, Bi is bonded to five equivalent La and two equivalent Mn atoms to form a mixture of distorted face, edge, and corner-sharing BiLa5Mn2 pentagonal bipyramids.

• 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: 1274125
• Report Number(s): mp-567915
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
La3MnBi5
Bi-La-Mn