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Title: Materials Data on Rb2NaInCl6 by Materials Project

Abstract

Rb2NaInCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent NaCl6 octahedra, and faces with four equivalent InCl6 octahedra. All Rb–Cl bond lengths are 3.75 Å. Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent InCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.76 Å. In3+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent NaCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 2.54 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Na1+, and one In3+ atom.

Publication Date:
Other Number(s):
mp-989547
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; Rb2NaInCl6; Cl-In-Na-Rb
OSTI Identifier:
1316846
DOI:
https://doi.org/10.17188/1316846

Citation Formats

The Materials Project. Materials Data on Rb2NaInCl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316846.
The Materials Project. Materials Data on Rb2NaInCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1316846
The Materials Project. 2020. "Materials Data on Rb2NaInCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1316846. https://www.osti.gov/servlets/purl/1316846. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1316846,
title = {Materials Data on Rb2NaInCl6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2NaInCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, faces with four equivalent NaCl6 octahedra, and faces with four equivalent InCl6 octahedra. All Rb–Cl bond lengths are 3.75 Å. Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent InCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.76 Å. In3+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent NaCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 2.54 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+, one Na1+, and one In3+ atom.},
doi = {10.17188/1316846},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}