Materials Data on ThI4 by Materials Project

Dataset · Wed Jul 22 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1201896· OSTI ID:1201896

The Materials Project

ThI4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one ThI4 sheet oriented in the (1, 0, 0) direction. Th4+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of Th–I bond distances ranging from 3.15–3.33 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two equivalent Th4+ atoms. In the second I1- site, I1- is bonded in a water-like geometry to two equivalent Th4+ atoms. In the third I1- site, I1- is bonded in an L-shaped geometry to two equivalent Th4+ atoms. In the fourth I1- site, I1- is bonded in an L-shaped geometry to two equivalent Th4+ atoms.

• 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: 1201896
• Report Number(s): mp-27697
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
ThI4
I-Th