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

Title: Materials Data on RbCrI3 by Materials Project

Abstract

RbCrI3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.73–4.18 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.74–4.15 Å. There are three inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded to six I1- atoms to form face-sharing CrI6 octahedra. There are a spread of Cr–I bond distances ranging from 2.77–3.20 Å. In the second Cr2+ site, Cr2+ is bonded to six I1- atoms to form face-sharing CrI6 octahedra. There are a spread of Cr–I bond distances ranging from 2.77–3.15 Å. In the third Cr2+ site, Cr2+ is bonded to six I1- atoms to form face-sharing CrI6 octahedra. There are a spread of Cr–I bond distances ranging from 2.77–3.15 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to three Rb1+ and two Cr2+ atoms. In the second I1- site, I1- is bondedmore » in a 5-coordinate geometry to three Rb1+ and two Cr2+ atoms. In the third I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Cr2+ atoms. In the fourth I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Cr2+ atoms. In the fifth I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Cr2+ atoms. In the sixth I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Cr2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-27442
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; RbCrI3; Cr-I-Rb
OSTI Identifier:
1201656
DOI:
https://doi.org/10.17188/1201656

Citation Formats

The Materials Project. Materials Data on RbCrI3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201656.
The Materials Project. Materials Data on RbCrI3 by Materials Project. United States. doi:https://doi.org/10.17188/1201656
The Materials Project. 2020. "Materials Data on RbCrI3 by Materials Project". United States. doi:https://doi.org/10.17188/1201656. https://www.osti.gov/servlets/purl/1201656. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1201656,
title = {Materials Data on RbCrI3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbCrI3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.73–4.18 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine I1- atoms. There are a spread of Rb–I bond distances ranging from 3.74–4.15 Å. There are three inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded to six I1- atoms to form face-sharing CrI6 octahedra. There are a spread of Cr–I bond distances ranging from 2.77–3.20 Å. In the second Cr2+ site, Cr2+ is bonded to six I1- atoms to form face-sharing CrI6 octahedra. There are a spread of Cr–I bond distances ranging from 2.77–3.15 Å. In the third Cr2+ site, Cr2+ is bonded to six I1- atoms to form face-sharing CrI6 octahedra. There are a spread of Cr–I bond distances ranging from 2.77–3.15 Å. There are six inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to three Rb1+ and two Cr2+ atoms. In the second I1- site, I1- is bonded in a 5-coordinate geometry to three Rb1+ and two Cr2+ atoms. In the third I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Cr2+ atoms. In the fourth I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Cr2+ atoms. In the fifth I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Cr2+ atoms. In the sixth I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Cr2+ atoms.},
doi = {10.17188/1201656},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}