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

Title: Materials Data on Cs2NiAs2 by Materials Project

Abstract

Cs2NiAs2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six equivalent As2- atoms. There are four shorter (3.75 Å) and two longer (3.85 Å) Cs–As bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to six equivalent As2- atoms. There are two shorter (3.59 Å) and four longer (3.95 Å) Cs–As bond lengths. Ni2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent As2- atoms. All Ni–As bond lengths are 2.37 Å. As2- is bonded in a 2-coordinate geometry to six Cs1+, two equivalent Ni2+, and one As2- atom. The As–As bond length is 2.43 Å.

Publication Date:
Other Number(s):
mp-1206689
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; Cs2NiAs2; As-Cs-Ni
OSTI Identifier:
1707085
DOI:
https://doi.org/10.17188/1707085

Citation Formats

The Materials Project. Materials Data on Cs2NiAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707085.
The Materials Project. Materials Data on Cs2NiAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1707085
The Materials Project. 2020. "Materials Data on Cs2NiAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1707085. https://www.osti.gov/servlets/purl/1707085. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1707085,
title = {Materials Data on Cs2NiAs2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2NiAs2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six equivalent As2- atoms. There are four shorter (3.75 Å) and two longer (3.85 Å) Cs–As bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to six equivalent As2- atoms. There are two shorter (3.59 Å) and four longer (3.95 Å) Cs–As bond lengths. Ni2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent As2- atoms. All Ni–As bond lengths are 2.37 Å. As2- is bonded in a 2-coordinate geometry to six Cs1+, two equivalent Ni2+, and one As2- atom. The As–As bond length is 2.43 Å.},
doi = {10.17188/1707085},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}