skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SrThBr6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1203065· OSTI ID:1203065

SrThBr6 crystallizes in the orthorhombic Pmma space group. The structure is two-dimensional and consists of two SrThBr6 sheets oriented in the (0, 0, 1) direction. Sr2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Sr–Br bond distances ranging from 3.00–3.26 Å. Th4+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Th–Br bond distances ranging from 2.95–3.04 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+ and two equivalent Th4+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Th4+ atoms. In the third Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Sr2+ atoms. In the fourth Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sr2+ and one Th4+ atom.

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:
1203065
Report Number(s):
mp-29016
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on CaThBr6 by Materials Project
Dataset · Fri Jul 17 00:00:00 EDT 2020 · OSTI ID:1203065

Materials Data on BaThBr6 by Materials Project
Dataset · Sat Jul 18 00:00:00 EDT 2020 · OSTI ID:1203065

Materials Data on Sr9La5Br33 by Materials Project
Dataset · Mon Aug 18 00:00:00 EDT 2014 · OSTI ID:1203065