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Title: Materials Data on RbAg3Se2 by Materials Project

Abstract

RbAg3Se2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded to seven Se2- atoms to form a mixture of distorted face and edge-sharing RbSe7 pentagonal bipyramids. There are a spread of Rb–Se bond distances ranging from 3.55–3.76 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted bent 120 degrees geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.64–3.21 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three Se2- atoms. There are two shorter (2.70 Å) and one longer (2.76 Å) Ag–Se bond lengths. In the third Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.63 Å) and two longer (2.78 Å) Ag–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 8-coordinate geometry to four equivalent Rb1+ and four Ag1+ atoms. In the second Se2- site, Se2- is bonded in a 9-coordinate geometry to three equivalent Rb1+ and six Ag1+ atoms.

Publication Date:
Other Number(s):
mp-10477
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; RbAg3Se2; Ag-Rb-Se
OSTI Identifier:
1187146
DOI:
https://doi.org/10.17188/1187146

Citation Formats

The Materials Project. Materials Data on RbAg3Se2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187146.
The Materials Project. Materials Data on RbAg3Se2 by Materials Project. United States. doi:https://doi.org/10.17188/1187146
The Materials Project. 2020. "Materials Data on RbAg3Se2 by Materials Project". United States. doi:https://doi.org/10.17188/1187146. https://www.osti.gov/servlets/purl/1187146. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187146,
title = {Materials Data on RbAg3Se2 by Materials Project},
author = {The Materials Project},
abstractNote = {RbAg3Se2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Rb1+ is bonded to seven Se2- atoms to form a mixture of distorted face and edge-sharing RbSe7 pentagonal bipyramids. There are a spread of Rb–Se bond distances ranging from 3.55–3.76 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted bent 120 degrees geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.64–3.21 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three Se2- atoms. There are two shorter (2.70 Å) and one longer (2.76 Å) Ag–Se bond lengths. In the third Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three Se2- atoms. There are one shorter (2.63 Å) and two longer (2.78 Å) Ag–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 8-coordinate geometry to four equivalent Rb1+ and four Ag1+ atoms. In the second Se2- site, Se2- is bonded in a 9-coordinate geometry to three equivalent Rb1+ and six Ag1+ atoms.},
doi = {10.17188/1187146},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}