DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on RbTmI3 by Materials Project

Abstract

RbTmI3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to eight I atoms. There are a spread of Rb–I bond distances ranging from 3.73–4.12 Å. Tm is bonded to six I atoms to form corner-sharing TmI6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. There are two shorter (3.06 Å) and four longer (3.07 Å) Tm–I bond lengths. There are two inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to three equivalent Rb and two equivalent Tm atoms. In the second I site, I is bonded in a distorted square co-planar geometry to two equivalent Rb and two equivalent Tm atoms.

Publication Date:
Other Number(s):
mp-1209132
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; RbTmI3; I-Rb-Tm
OSTI Identifier:
1727007
DOI:
https://doi.org/10.17188/1727007

Citation Formats

The Materials Project. Materials Data on RbTmI3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727007.
The Materials Project. Materials Data on RbTmI3 by Materials Project. United States. doi:https://doi.org/10.17188/1727007
The Materials Project. 2020. "Materials Data on RbTmI3 by Materials Project". United States. doi:https://doi.org/10.17188/1727007. https://www.osti.gov/servlets/purl/1727007. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1727007,
title = {Materials Data on RbTmI3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbTmI3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to eight I atoms. There are a spread of Rb–I bond distances ranging from 3.73–4.12 Å. Tm is bonded to six I atoms to form corner-sharing TmI6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. There are two shorter (3.06 Å) and four longer (3.07 Å) Tm–I bond lengths. There are two inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to three equivalent Rb and two equivalent Tm atoms. In the second I site, I is bonded in a distorted square co-planar geometry to two equivalent Rb and two equivalent Tm atoms.},
doi = {10.17188/1727007},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}