U.S. Department of EnergyOffice of Scientific and Technical Information
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°.
- Publication Date:
- Other Number(s):
- mp-23033
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cl-N-Sr; Sr2NCl; crystal structure
- OSTI Identifier:
- 1199181
- DOI:
- https://doi.org/10.17188/1199181
Citation Formats
Materials Data on Sr2NCl by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199181.
Materials Data on Sr2NCl by Materials Project. United States. doi:https://doi.org/10.17188/1199181
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 04:00:00 UTC 2020
@article{osti_1199181,
title = {Materials Data on Sr2NCl by 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}
}