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Title: Materials Data on CsCd4As3 by Materials Project

Abstract

CsCd4As3 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Cs–As bond lengths are 3.94 Å. Cd2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing CdAs4 tetrahedra. There are two shorter (2.75 Å) and two longer (2.91 Å) Cd–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Cs1+ and four equivalent Cd2+ atoms. In the second As3- site, As3- is bonded in a body-centered cubic geometry to eight equivalent Cd2+ atoms.

Publication Date:
Other Number(s):
mp-1079080
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; CsCd4As3; As-Cd-Cs
OSTI Identifier:
1681463
DOI:
https://doi.org/10.17188/1681463

Citation Formats

The Materials Project. Materials Data on CsCd4As3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681463.
The Materials Project. Materials Data on CsCd4As3 by Materials Project. United States. doi:https://doi.org/10.17188/1681463
The Materials Project. 2020. "Materials Data on CsCd4As3 by Materials Project". United States. doi:https://doi.org/10.17188/1681463. https://www.osti.gov/servlets/purl/1681463. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1681463,
title = {Materials Data on CsCd4As3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsCd4As3 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Cs–As bond lengths are 3.94 Å. Cd2+ is bonded to four As3- atoms to form a mixture of edge and corner-sharing CdAs4 tetrahedra. There are two shorter (2.75 Å) and two longer (2.91 Å) Cd–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Cs1+ and four equivalent Cd2+ atoms. In the second As3- site, As3- is bonded in a body-centered cubic geometry to eight equivalent Cd2+ atoms.},
doi = {10.17188/1681463},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}