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

Title: Materials Data on Sr2NCl by Materials Project

Abstract

Sr2NCl is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to three equivalent N3- and three equivalent Cl1- atoms to form a mixture of corner and edge-sharing SrN3Cl3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–N bond lengths are 2.63 Å. All Sr–Cl bond lengths are 3.16 Å. N3- is bonded to six equivalent Sr2+ atoms to form NSr6 octahedra that share corners with six equivalent ClSr6 octahedra, edges with six equivalent NSr6 octahedra, and edges with six equivalent ClSr6 octahedra. The corner-sharing octahedral tilt angles are 13°. Cl1- is bonded to six equivalent Sr2+ atoms to form distorted ClSr6 octahedra that share corners with six equivalent NSr6 octahedra, edges with six equivalent NSr6 octahedra, and edges with six equivalent ClSr6 octahedra. The corner-sharing octahedral tilt angles are 13°.

Authors:
Publication Date:
Other Number(s):
mp-23033
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; Sr2NCl; Cl-N-Sr
OSTI Identifier:
1199181
DOI:
https://doi.org/10.17188/1199181

Citation Formats

The Materials Project. Materials Data on Sr2NCl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199181.
The Materials Project. Materials Data on Sr2NCl by Materials Project. United States. doi:https://doi.org/10.17188/1199181
The Materials Project. 2020. "Materials Data on Sr2NCl by Materials Project". United States. doi:https://doi.org/10.17188/1199181. https://www.osti.gov/servlets/purl/1199181. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1199181,
title = {Materials Data on Sr2NCl by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2NCl is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sr2+ is bonded to three equivalent N3- and three equivalent Cl1- atoms to form a mixture of corner and edge-sharing SrN3Cl3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–N bond lengths are 2.63 Å. All Sr–Cl bond lengths are 3.16 Å. N3- is bonded to six equivalent Sr2+ atoms to form NSr6 octahedra that share corners with six equivalent ClSr6 octahedra, edges with six equivalent NSr6 octahedra, and edges with six equivalent ClSr6 octahedra. The corner-sharing octahedral tilt angles are 13°. Cl1- is bonded to six equivalent Sr2+ atoms to form distorted ClSr6 octahedra that share corners with six equivalent NSr6 octahedra, edges with six equivalent NSr6 octahedra, and edges with six equivalent ClSr6 octahedra. The corner-sharing octahedral tilt angles are 13°.},
doi = {10.17188/1199181},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}