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Title: Materials Data on Rb2AgAu3I8 by Materials Project

Abstract

Rb2Au3AgI8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten I1- atoms. There are a spread of Rb–I bond distances ranging from 3.83–4.17 Å. There are two inequivalent Au+1.67+ sites. In the first Au+1.67+ site, Au+1.67+ is bonded in a distorted linear geometry to three I1- atoms. There are two shorter (2.61 Å) and one longer (3.61 Å) Au–I bond lengths. In the second Au+1.67+ site, Au+1.67+ is bonded in a distorted square co-planar geometry to four I1- atoms. There are two shorter (2.69 Å) and two longer (2.70 Å) Au–I bond lengths. Ag1+ is bonded in a tetrahedral geometry to four I1- atoms. There are two shorter (2.88 Å) and two longer (2.91 Å) Ag–I bond lengths. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Rb1+, one Au+1.67+, and one Ag1+ atom. In the second I1- site, I1- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Rb1+ and one Au+1.67+ atom. In the third I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Au+1.67+, andmore » one Ag1+ atom. In the fourth I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Au+1.67+ atoms.« less

Publication Date:
Other Number(s):
mp-570536
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; Rb2AgAu3I8; Ag-Au-I-Rb
OSTI Identifier:
1275761
DOI:
https://doi.org/10.17188/1275761

Citation Formats

The Materials Project. Materials Data on Rb2AgAu3I8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275761.
The Materials Project. Materials Data on Rb2AgAu3I8 by Materials Project. United States. doi:https://doi.org/10.17188/1275761
The Materials Project. 2020. "Materials Data on Rb2AgAu3I8 by Materials Project". United States. doi:https://doi.org/10.17188/1275761. https://www.osti.gov/servlets/purl/1275761. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1275761,
title = {Materials Data on Rb2AgAu3I8 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2Au3AgI8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten I1- atoms. There are a spread of Rb–I bond distances ranging from 3.83–4.17 Å. There are two inequivalent Au+1.67+ sites. In the first Au+1.67+ site, Au+1.67+ is bonded in a distorted linear geometry to three I1- atoms. There are two shorter (2.61 Å) and one longer (3.61 Å) Au–I bond lengths. In the second Au+1.67+ site, Au+1.67+ is bonded in a distorted square co-planar geometry to four I1- atoms. There are two shorter (2.69 Å) and two longer (2.70 Å) Au–I bond lengths. Ag1+ is bonded in a tetrahedral geometry to four I1- atoms. There are two shorter (2.88 Å) and two longer (2.91 Å) Ag–I bond lengths. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Rb1+, one Au+1.67+, and one Ag1+ atom. In the second I1- site, I1- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Rb1+ and one Au+1.67+ atom. In the third I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Au+1.67+, and one Ag1+ atom. In the fourth I1- site, I1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two Au+1.67+ atoms.},
doi = {10.17188/1275761},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}