U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NiSn2(OF)6 by Materials Project
Abstract
NiSn2(OF3)2(O2)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two hydrogen peroxide molecules and one NiSn2(OF3)2 sheet oriented in the (0, 1, 0) direction. In the NiSn2(OF3)2 sheet, Ni is bonded in a square co-planar geometry to two equivalent O and two equivalent F atoms. Both Ni–O bond lengths are 1.87 Å. Both Ni–F bond lengths are 2.10 Å. Sn is bonded to one O and four F atoms to form distorted edge-sharing SnOF4 trigonal bipyramids. The Sn–O bond length is 1.90 Å. There are a spread of Sn–F bond distances ranging from 1.92–2.25 Å. O is bonded in a bent 120 degrees geometry to one Ni and one Sn atom. There are three inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to one Ni and one Sn atom. In the second F site, F is bonded in a water-like geometry to two equivalent Sn atoms. In the third F site, F is bonded in a single-bond geometry to one Sn atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1210687
- 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; NiSn2(OF)6; F-Ni-O-Sn
- OSTI Identifier:
- 1678527
- DOI:
- https://doi.org/10.17188/1678527
Citation Formats
The Materials Project. Materials Data on NiSn2(OF)6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1678527.
The Materials Project. Materials Data on NiSn2(OF)6 by Materials Project. United States. doi:https://doi.org/10.17188/1678527
The Materials Project. 2019.
"Materials Data on NiSn2(OF)6 by Materials Project". United States. doi:https://doi.org/10.17188/1678527. https://www.osti.gov/servlets/purl/1678527. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1678527,
title = {Materials Data on NiSn2(OF)6 by Materials Project},
author = {The Materials Project},
abstractNote = {NiSn2(OF3)2(O2)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two hydrogen peroxide molecules and one NiSn2(OF3)2 sheet oriented in the (0, 1, 0) direction. In the NiSn2(OF3)2 sheet, Ni is bonded in a square co-planar geometry to two equivalent O and two equivalent F atoms. Both Ni–O bond lengths are 1.87 Å. Both Ni–F bond lengths are 2.10 Å. Sn is bonded to one O and four F atoms to form distorted edge-sharing SnOF4 trigonal bipyramids. The Sn–O bond length is 1.90 Å. There are a spread of Sn–F bond distances ranging from 1.92–2.25 Å. O is bonded in a bent 120 degrees geometry to one Ni and one Sn atom. There are three inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to one Ni and one Sn atom. In the second F site, F is bonded in a water-like geometry to two equivalent Sn atoms. In the third F site, F is bonded in a single-bond geometry to one Sn atom.},
doi = {10.17188/1678527},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}