U.S. Department of EnergyOffice of Scientific and Technical Information
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
- 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; N-Ni-Sr; Sr2NiN2; crystal structure
- OSTI Identifier:
- 1727456
- DOI:
- https://doi.org/10.17188/1727456
Citation Formats
Materials Data on Sr2NiN2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1727456.
Materials Data on Sr2NiN2 by Materials Project. United States. doi:https://doi.org/10.17188/1727456
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 04:00:00 UTC 2019
@article{osti_1727456,
title = {Materials Data on Sr2NiN2 by 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}
}