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

Title: Materials Data on CsAg5Se3 by Materials Project

Abstract

CsAg5Se3 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight Se2- atoms. All Cs–Se bond lengths are 3.82 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four Se2- atoms to form distorted corner-sharing AgSe4 tetrahedra. There are two shorter (2.70 Å) and two longer (2.98 Å) Ag–Se bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three equivalent Se2- atoms. There are one shorter (2.67 Å) and two longer (2.80 Å) Ag–Se bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.63–2.98 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to four equivalent Cs1+ and four Ag1+ atoms. In the second Se2- site, Se2- is bonded in a 9-coordinate geometry to two equivalent Cs1+ and seven Ag1+ atoms.

Publication Date:
Other Number(s):
mp-10480
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; CsAg5Se3; Ag-Cs-Se
OSTI Identifier:
1187149
DOI:
https://doi.org/10.17188/1187149

Citation Formats

The Materials Project. Materials Data on CsAg5Se3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187149.
The Materials Project. Materials Data on CsAg5Se3 by Materials Project. United States. doi:https://doi.org/10.17188/1187149
The Materials Project. 2020. "Materials Data on CsAg5Se3 by Materials Project". United States. doi:https://doi.org/10.17188/1187149. https://www.osti.gov/servlets/purl/1187149. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1187149,
title = {Materials Data on CsAg5Se3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsAg5Se3 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight Se2- atoms. All Cs–Se bond lengths are 3.82 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four Se2- atoms to form distorted corner-sharing AgSe4 tetrahedra. There are two shorter (2.70 Å) and two longer (2.98 Å) Ag–Se bond lengths. In the second Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three equivalent Se2- atoms. There are one shorter (2.67 Å) and two longer (2.80 Å) Ag–Se bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.63–2.98 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to four equivalent Cs1+ and four Ag1+ atoms. In the second Se2- site, Se2- is bonded in a 9-coordinate geometry to two equivalent Cs1+ and seven Ag1+ atoms.},
doi = {10.17188/1187149},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}