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Title: Materials Data on Cd3As2 by Materials Project

Abstract

Cd3As2 is Hausmannite-like structured and crystallizes in the tetragonal P4_2/nbc space group. The structure is three-dimensional. there are six inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four As3- atoms to form a mixture of distorted corner and edge-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.70–3.11 Å. In the second Cd2+ site, Cd2+ is bonded to four As3- atoms to form a mixture of distorted corner and edge-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.69–3.17 Å. In the third Cd2+ site, Cd2+ is bonded to four As3- atoms to form a mixture of distorted corner and edge-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.72–3.16 Å. In the fourth Cd2+ site, Cd2+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.65–2.96 Å. In the fifth Cd2+ site, Cd2+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.70–3.07 Å. In the sixth Cd2+ site,more » Cd2+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.64–3.01 Å. There are six inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to six Cd2+ atoms. In the second As3- site, As3- is bonded in a 6-coordinate geometry to six Cd2+ atoms. In the third As3- site, As3- is bonded in a 6-coordinate geometry to six Cd2+ atoms. In the fourth As3- site, As3- is bonded in a 6-coordinate geometry to six Cd2+ atoms. In the fifth As3- site, As3- is bonded in a 6-coordinate geometry to six Cd2+ atoms. In the sixth As3- site, As3- is bonded in a 6-coordinate geometry to six Cd2+ atoms.« less

Publication Date:
Other Number(s):
mp-1201202
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; Cd3As2; As-Cd
OSTI Identifier:
1662541
DOI:
https://doi.org/10.17188/1662541

Citation Formats

The Materials Project. Materials Data on Cd3As2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1662541.
The Materials Project. Materials Data on Cd3As2 by Materials Project. United States. doi:https://doi.org/10.17188/1662541
The Materials Project. 2019. "Materials Data on Cd3As2 by Materials Project". United States. doi:https://doi.org/10.17188/1662541. https://www.osti.gov/servlets/purl/1662541. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1662541,
title = {Materials Data on Cd3As2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cd3As2 is Hausmannite-like structured and crystallizes in the tetragonal P4_2/nbc space group. The structure is three-dimensional. there are six inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four As3- atoms to form a mixture of distorted corner and edge-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.70–3.11 Å. In the second Cd2+ site, Cd2+ is bonded to four As3- atoms to form a mixture of distorted corner and edge-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.69–3.17 Å. In the third Cd2+ site, Cd2+ is bonded to four As3- atoms to form a mixture of distorted corner and edge-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.72–3.16 Å. In the fourth Cd2+ site, Cd2+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.65–2.96 Å. In the fifth Cd2+ site, Cd2+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.70–3.07 Å. In the sixth Cd2+ site, Cd2+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing CdAs4 tetrahedra. There are a spread of Cd–As bond distances ranging from 2.64–3.01 Å. There are six inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to six Cd2+ atoms. In the second As3- site, As3- is bonded in a 6-coordinate geometry to six Cd2+ atoms. In the third As3- site, As3- is bonded in a 6-coordinate geometry to six Cd2+ atoms. In the fourth As3- site, As3- is bonded in a 6-coordinate geometry to six Cd2+ atoms. In the fifth As3- site, As3- is bonded in a 6-coordinate geometry to six Cd2+ atoms. In the sixth As3- site, As3- is bonded in a 6-coordinate geometry to six Cd2+ atoms.},
doi = {10.17188/1662541},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}