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Title: Materials Data on Sr2NiN2 by Materials Project

Abstract

Sr2NiN2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing SrN5 square pyramids. There are one shorter (2.62 Å) and four longer (2.73 Å) Sr–N bond lengths. In the second Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing SrN5 square pyramids. There are one shorter (2.65 Å) and four longer (2.72 Å) Sr–N bond lengths. Ni2+ is bonded in a linear geometry to two 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 five Sr2+ and one Ni2+ atom to form a mixture of edge and corner-sharing NSr5Ni octahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the second N3- site, N3- is bonded to five Sr2+ and one Ni2+ atom to form a mixture of edge and corner-sharing NSr5Ni octahedra. The corner-sharing octahedra tilt angles range from 0–3°.

Publication Date:
Other Number(s):
mp-1218737
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; Sr2NiN2; N-Ni-Sr
OSTI Identifier:
1727456
DOI:
https://doi.org/10.17188/1727456

Citation Formats

The Materials Project. Materials Data on Sr2NiN2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1727456.
The Materials Project. Materials Data on Sr2NiN2 by Materials Project. United States. doi:https://doi.org/10.17188/1727456
The Materials Project. 2019. "Materials Data on Sr2NiN2 by Materials Project". United States. doi:https://doi.org/10.17188/1727456. https://www.osti.gov/servlets/purl/1727456. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1727456,
title = {Materials Data on Sr2NiN2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2NiN2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing SrN5 square pyramids. There are one shorter (2.62 Å) and four longer (2.73 Å) Sr–N bond lengths. In the second Sr2+ site, Sr2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing SrN5 square pyramids. There are one shorter (2.65 Å) and four longer (2.72 Å) Sr–N bond lengths. Ni2+ is bonded in a linear geometry to two 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 five Sr2+ and one Ni2+ atom to form a mixture of edge and corner-sharing NSr5Ni octahedra. The corner-sharing octahedra tilt angles range from 0–4°. In the second N3- site, N3- is bonded to five Sr2+ and one Ni2+ atom to form a mixture of edge and corner-sharing NSr5Ni octahedra. The corner-sharing octahedra tilt angles range from 0–3°.},
doi = {10.17188/1727456},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}