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Title: Materials Data on SrNiN by Materials Project

Abstract

SrNiN crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to four N3- atoms to form a mixture of edge and corner-sharing SrN4 tetrahedra. There are a spread of Sr–N bond distances ranging from 2.62–2.70 Å. In the second Sr2+ site, Sr2+ is bonded to four N3- atoms to form a mixture of distorted edge and corner-sharing SrN4 tetrahedra. There are a spread of Sr–N bond distances ranging from 2.65–2.75 Å. There are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.78 Å) and one longer (1.84 Å) Ni–N bond length. In the second Ni1+ site, Ni1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Ni–N bond lengths are 1.76 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four Sr2+ and two equivalent Ni1+ atoms to form a mixture of distorted edge and corner-sharing NSr4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 2–67°. In the second N3- site, N3- is bonded to four Sr2+ andmore » two Ni1+ atoms to form a mixture of distorted edge and corner-sharing NSr4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–67°.« less

Publication Date:
Other Number(s):
mp-21524
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SrNiN; N-Ni-Sr
OSTI Identifier:
1196971
DOI:
https://doi.org/10.17188/1196971

Citation Formats

The Materials Project. Materials Data on SrNiN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1196971.
The Materials Project. Materials Data on SrNiN by Materials Project. United States. doi:https://doi.org/10.17188/1196971
The Materials Project. 2020. "Materials Data on SrNiN by Materials Project". United States. doi:https://doi.org/10.17188/1196971. https://www.osti.gov/servlets/purl/1196971. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1196971,
title = {Materials Data on SrNiN by Materials Project},
author = {The Materials Project},
abstractNote = {SrNiN crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to four N3- atoms to form a mixture of edge and corner-sharing SrN4 tetrahedra. There are a spread of Sr–N bond distances ranging from 2.62–2.70 Å. In the second Sr2+ site, Sr2+ is bonded to four N3- atoms to form a mixture of distorted edge and corner-sharing SrN4 tetrahedra. There are a spread of Sr–N bond distances ranging from 2.65–2.75 Å. There are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.78 Å) and one longer (1.84 Å) Ni–N bond length. In the second Ni1+ site, Ni1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Ni–N bond lengths are 1.76 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four Sr2+ and two equivalent Ni1+ atoms to form a mixture of distorted edge and corner-sharing NSr4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 2–67°. In the second N3- site, N3- is bonded to four Sr2+ and two Ni1+ atoms to form a mixture of distorted edge and corner-sharing NSr4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–67°.},
doi = {10.17188/1196971},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}