Materials Data on Th3In5 by Materials Project

Dataset · Sun May 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1719652· OSTI ID:1719652

Th3In5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Th–In bond distances ranging from 3.19–3.61 Å. In the second Th site, Th is bonded in a 10-coordinate geometry to ten In atoms. There are a spread of Th–In bond distances ranging from 3.29–3.53 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to five Th and four In atoms. There are two shorter (3.10 Å) and two longer (3.20 Å) In–In bond lengths. In the second In site, In is bonded in a 10-coordinate geometry to six Th and four In atoms. There are two shorter (3.01 Å) and one longer (3.36 Å) In–In bond lengths. In the third In site, In is bonded in a 9-coordinate geometry to six Th and three In atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1719652
• Report Number(s): mp-1189532
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
In-Th
Th3In5
crystal structure