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Title: Materials Data on RbAgCl3 by Materials Project

Abstract

RbAgCl3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Rb1+ is bonded to twelve Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with eight equivalent AgCl6 octahedra. There are a spread of Rb–Cl bond distances ranging from 3.60–3.71 Å. Ag2+ is bonded to six Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent AgCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Ag–Cl bond lengths are 2.58 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent Rb1+ and two equivalent Ag2+ atoms to form a mixture of distorted edge, face, and corner-sharing ClRb4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the second Cl1- site, Cl1- is bonded to four equivalent Rb1+ and two equivalent Ag2+ atoms to form a mixture of distorted edge, face, and corner-sharing ClRb4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 1–61°. In the third Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+ andmore » two equivalent Ag2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-998201
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; RbAgCl3; Ag-Cl-Rb
OSTI Identifier:
1317285
DOI:
https://doi.org/10.17188/1317285

Citation Formats

The Materials Project. Materials Data on RbAgCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317285.
The Materials Project. Materials Data on RbAgCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1317285
The Materials Project. 2020. "Materials Data on RbAgCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1317285. https://www.osti.gov/servlets/purl/1317285. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1317285,
title = {Materials Data on RbAgCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbAgCl3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Rb1+ is bonded to twelve Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with eight equivalent AgCl6 octahedra. There are a spread of Rb–Cl bond distances ranging from 3.60–3.71 Å. Ag2+ is bonded to six Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent AgCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. All Ag–Cl bond lengths are 2.58 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent Rb1+ and two equivalent Ag2+ atoms to form a mixture of distorted edge, face, and corner-sharing ClRb4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°. In the second Cl1- site, Cl1- is bonded to four equivalent Rb1+ and two equivalent Ag2+ atoms to form a mixture of distorted edge, face, and corner-sharing ClRb4Ag2 octahedra. The corner-sharing octahedra tilt angles range from 1–61°. In the third Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Ag2+ atoms.},
doi = {10.17188/1317285},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}