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

Title: Materials Data on CaSnN2 by Materials Project

Abstract

CaSnN2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Ca2+ is bonded to four N3- atoms to form CaN4 tetrahedra that share corners with four equivalent CaN4 tetrahedra and corners with eight equivalent SnN4 tetrahedra. There are a spread of Ca–N bond distances ranging from 2.36–2.43 Å. Sn4+ is bonded to four N3- atoms to form SnN4 tetrahedra that share corners with four equivalent SnN4 tetrahedra and corners with eight equivalent CaN4 tetrahedra. There are a spread of Sn–N bond distances ranging from 2.08–2.11 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Ca2+ and two equivalent Sn4+ atoms to form corner-sharing NCa2Sn2 tetrahedra. In the second N3- site, N3- is bonded to two equivalent Ca2+ and two equivalent Sn4+ atoms to form corner-sharing NCa2Sn2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1029633
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; CaSnN2; Ca-N-Sn
OSTI Identifier:
1734223
DOI:
https://doi.org/10.17188/1734223

Citation Formats

The Materials Project. Materials Data on CaSnN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1734223.
The Materials Project. Materials Data on CaSnN2 by Materials Project. United States. doi:https://doi.org/10.17188/1734223
The Materials Project. 2020. "Materials Data on CaSnN2 by Materials Project". United States. doi:https://doi.org/10.17188/1734223. https://www.osti.gov/servlets/purl/1734223. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1734223,
title = {Materials Data on CaSnN2 by Materials Project},
author = {The Materials Project},
abstractNote = {CaSnN2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Ca2+ is bonded to four N3- atoms to form CaN4 tetrahedra that share corners with four equivalent CaN4 tetrahedra and corners with eight equivalent SnN4 tetrahedra. There are a spread of Ca–N bond distances ranging from 2.36–2.43 Å. Sn4+ is bonded to four N3- atoms to form SnN4 tetrahedra that share corners with four equivalent SnN4 tetrahedra and corners with eight equivalent CaN4 tetrahedra. There are a spread of Sn–N bond distances ranging from 2.08–2.11 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Ca2+ and two equivalent Sn4+ atoms to form corner-sharing NCa2Sn2 tetrahedra. In the second N3- site, N3- is bonded to two equivalent Ca2+ and two equivalent Sn4+ atoms to form corner-sharing NCa2Sn2 tetrahedra.},
doi = {10.17188/1734223},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}