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 = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}