U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NiSn(ClO)6 by Materials Project
Abstract
NiSn(OCl3)2(O2)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two hydrogen peroxide molecules and one NiSn(OCl3)2 ribbon oriented in the (1, 0, 0) direction. In the NiSn(OCl3)2 ribbon, Ni is bonded in a square co-planar geometry to two equivalent O and two equivalent Cl atoms. Both Ni–O bond lengths are 1.97 Å. Both Ni–Cl bond lengths are 2.35 Å. Sn is bonded in an octahedral geometry to two equivalent O and four Cl atoms. Both Sn–O bond lengths are 2.18 Å. There are two shorter (2.38 Å) and two longer (2.54 Å) Sn–Cl bond lengths. O is bonded in a trigonal planar geometry to one Ni, one Sn, and one Cl atom. The O–Cl bond length is 1.69 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in an L-shaped geometry to one Ni and one Sn atom. In the second Cl site, Cl is bonded in a single-bond geometry to one O atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Sn atom.
- Publication Date:
- Other Number(s):
- mp-1180055
- 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; Cl-Ni-O-Sn; NiSn(ClO)6; crystal structure
- OSTI Identifier:
- 1722019
- DOI:
- https://doi.org/10.17188/1722019
Citation Formats
Materials Data on NiSn(ClO)6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1722019.
Materials Data on NiSn(ClO)6 by Materials Project. United States. doi:https://doi.org/10.17188/1722019
2020.
"Materials Data on NiSn(ClO)6 by Materials Project". United States. doi:https://doi.org/10.17188/1722019. https://www.osti.gov/servlets/purl/1722019. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1722019,
title = {Materials Data on NiSn(ClO)6 by Materials Project},
abstractNote = {NiSn(OCl3)2(O2)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two hydrogen peroxide molecules and one NiSn(OCl3)2 ribbon oriented in the (1, 0, 0) direction. In the NiSn(OCl3)2 ribbon, Ni is bonded in a square co-planar geometry to two equivalent O and two equivalent Cl atoms. Both Ni–O bond lengths are 1.97 Å. Both Ni–Cl bond lengths are 2.35 Å. Sn is bonded in an octahedral geometry to two equivalent O and four Cl atoms. Both Sn–O bond lengths are 2.18 Å. There are two shorter (2.38 Å) and two longer (2.54 Å) Sn–Cl bond lengths. O is bonded in a trigonal planar geometry to one Ni, one Sn, and one Cl atom. The O–Cl bond length is 1.69 Å. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in an L-shaped geometry to one Ni and one Sn atom. In the second Cl site, Cl is bonded in a single-bond geometry to one O atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Sn atom.},
doi = {10.17188/1722019},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}