U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on H12C4NClO4 by Materials Project
Abstract
(CH3)4NClO4 crystallizes in the orthorhombic P2_12_12 space group. The structure is zero-dimensional and consists of two 3-azoniaspiro[2.2]pentane molecules, two 3-azoniaspiro[2.2]pentane molecules, eight hydrogen molecules, four water molecules, and four ClO3 clusters. In each ClO3 cluster, there are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.49 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.49 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.49 Å. Cl1- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1197965
- 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; H12C4NClO4; C-Cl-H-N-O
- OSTI Identifier:
- 1695158
- DOI:
- https://doi.org/10.17188/1695158
Citation Formats
The Materials Project. Materials Data on H12C4NClO4 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1695158.
The Materials Project. Materials Data on H12C4NClO4 by Materials Project. United States. doi:https://doi.org/10.17188/1695158
The Materials Project. 2019.
"Materials Data on H12C4NClO4 by Materials Project". United States. doi:https://doi.org/10.17188/1695158. https://www.osti.gov/servlets/purl/1695158. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1695158,
title = {Materials Data on H12C4NClO4 by Materials Project},
author = {The Materials Project},
abstractNote = {(CH3)4NClO4 crystallizes in the orthorhombic P2_12_12 space group. The structure is zero-dimensional and consists of two 3-azoniaspiro[2.2]pentane molecules, two 3-azoniaspiro[2.2]pentane molecules, eight hydrogen molecules, four water molecules, and four ClO3 clusters. In each ClO3 cluster, there are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.49 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.49 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.49 Å. Cl1- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms.},
doi = {10.17188/1695158},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}