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Title: Materials Data on Cd2SnGeAs4 by Materials Project

Abstract

Cd2SnGeAs4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four equivalent As3- atoms to form CdAs4 tetrahedra that share corners with four equivalent CdAs4 tetrahedra, corners with four equivalent SnAs4 tetrahedra, and corners with four equivalent GeAs4 tetrahedra. All Cd–As bond lengths are 2.70 Å. In the second Cd2+ site, Cd2+ is bonded to four equivalent As3- atoms to form CdAs4 tetrahedra that share corners with four equivalent CdAs4 tetrahedra, corners with four equivalent SnAs4 tetrahedra, and corners with four equivalent GeAs4 tetrahedra. All Cd–As bond lengths are 2.68 Å. Sn4+ is bonded to four equivalent As3- atoms to form SnAs4 tetrahedra that share corners with four equivalent GeAs4 tetrahedra and corners with eight CdAs4 tetrahedra. All Sn–As bond lengths are 2.66 Å. Ge4+ is bonded to four equivalent As3- atoms to form GeAs4 tetrahedra that share corners with four equivalent SnAs4 tetrahedra and corners with eight CdAs4 tetrahedra. All Ge–As bond lengths are 2.49 Å. As3- is bonded to two Cd2+, one Sn4+, and one Ge4+ atom to form corner-sharing AsCd2SnGe tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1226967
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cd2SnGeAs4; As-Cd-Ge-Sn
OSTI Identifier:
1654971
DOI:
https://doi.org/10.17188/1654971

Citation Formats

The Materials Project. Materials Data on Cd2SnGeAs4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1654971.
The Materials Project. Materials Data on Cd2SnGeAs4 by Materials Project. United States. doi:https://doi.org/10.17188/1654971
The Materials Project. 2020. "Materials Data on Cd2SnGeAs4 by Materials Project". United States. doi:https://doi.org/10.17188/1654971. https://www.osti.gov/servlets/purl/1654971. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1654971,
title = {Materials Data on Cd2SnGeAs4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cd2SnGeAs4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four equivalent As3- atoms to form CdAs4 tetrahedra that share corners with four equivalent CdAs4 tetrahedra, corners with four equivalent SnAs4 tetrahedra, and corners with four equivalent GeAs4 tetrahedra. All Cd–As bond lengths are 2.70 Å. In the second Cd2+ site, Cd2+ is bonded to four equivalent As3- atoms to form CdAs4 tetrahedra that share corners with four equivalent CdAs4 tetrahedra, corners with four equivalent SnAs4 tetrahedra, and corners with four equivalent GeAs4 tetrahedra. All Cd–As bond lengths are 2.68 Å. Sn4+ is bonded to four equivalent As3- atoms to form SnAs4 tetrahedra that share corners with four equivalent GeAs4 tetrahedra and corners with eight CdAs4 tetrahedra. All Sn–As bond lengths are 2.66 Å. Ge4+ is bonded to four equivalent As3- atoms to form GeAs4 tetrahedra that share corners with four equivalent SnAs4 tetrahedra and corners with eight CdAs4 tetrahedra. All Ge–As bond lengths are 2.49 Å. As3- is bonded to two Cd2+, one Sn4+, and one Ge4+ atom to form corner-sharing AsCd2SnGe tetrahedra.},
doi = {10.17188/1654971},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}