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

Title: Materials Data on Sr2NiN2 by Materials Project

Abstract

Sr2NiN2 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 five N3- atoms to form a mixture of edge and corner-sharing SrN5 square pyramids. There are three shorter (2.68 Å) and two 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 a spread of Sr–N bond distances ranging from 2.62–2.78 Å. Ni2+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.76 Å) and one longer (1.77 Å) Ni–N bond length. 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 distorted 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 0–4°.

Publication Date:
Other Number(s):
mp-669418
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:
1281617
DOI:
10.17188/1281617

Citation Formats

The Materials Project. Materials Data on Sr2NiN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281617.
The Materials Project. Materials Data on Sr2NiN2 by Materials Project. United States. doi:10.17188/1281617.
The Materials Project. 2020. "Materials Data on Sr2NiN2 by Materials Project". United States. doi:10.17188/1281617. https://www.osti.gov/servlets/purl/1281617. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1281617,
title = {Materials Data on Sr2NiN2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2NiN2 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 five N3- atoms to form a mixture of edge and corner-sharing SrN5 square pyramids. There are three shorter (2.68 Å) and two 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 a spread of Sr–N bond distances ranging from 2.62–2.78 Å. Ni2+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.76 Å) and one longer (1.77 Å) Ni–N bond length. 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 distorted 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 0–4°.},
doi = {10.17188/1281617},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: