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Title: Materials Data on Sr2AuN by Materials Project

Abstract

Sr2AuN crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to one Au1- and four equivalent N3- atoms. The Sr–Au bond length is 3.35 Å. There are two shorter (2.60 Å) and two longer (2.68 Å) Sr–N bond lengths. In the second Sr2+ site, Sr2+ is bonded in a distorted L-shaped geometry to six equivalent Au1- and two equivalent N3- atoms. There are two shorter (3.30 Å) and four longer (3.47 Å) Sr–Au bond lengths. Both Sr–N bond lengths are 2.59 Å. Au1- is bonded in a 9-coordinate geometry to seven Sr2+ and two equivalent Au1- atoms. Both Au–Au bond lengths are 3.06 Å. N3- is bonded to six Sr2+ atoms to form a mixture of corner and edge-sharing NSr6 octahedra. The corner-sharing octahedral tilt angles are 18°.

Authors:
Publication Date:
Other Number(s):
mp-30317
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; Sr2AuN; Au-N-Sr
OSTI Identifier:
1204738
DOI:
https://doi.org/10.17188/1204738

Citation Formats

The Materials Project. Materials Data on Sr2AuN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204738.
The Materials Project. Materials Data on Sr2AuN by Materials Project. United States. doi:https://doi.org/10.17188/1204738
The Materials Project. 2020. "Materials Data on Sr2AuN by Materials Project". United States. doi:https://doi.org/10.17188/1204738. https://www.osti.gov/servlets/purl/1204738. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204738,
title = {Materials Data on Sr2AuN by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2AuN crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 5-coordinate geometry to one Au1- and four equivalent N3- atoms. The Sr–Au bond length is 3.35 Å. There are two shorter (2.60 Å) and two longer (2.68 Å) Sr–N bond lengths. In the second Sr2+ site, Sr2+ is bonded in a distorted L-shaped geometry to six equivalent Au1- and two equivalent N3- atoms. There are two shorter (3.30 Å) and four longer (3.47 Å) Sr–Au bond lengths. Both Sr–N bond lengths are 2.59 Å. Au1- is bonded in a 9-coordinate geometry to seven Sr2+ and two equivalent Au1- atoms. Both Au–Au bond lengths are 3.06 Å. N3- is bonded to six Sr2+ atoms to form a mixture of corner and edge-sharing NSr6 octahedra. The corner-sharing octahedral tilt angles are 18°.},
doi = {10.17188/1204738},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}