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

Title: Materials Data on H12C4INO3 by Materials Project

Abstract

N(CH3)4IO3 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four tetramethylammonium molecules and four IO3 clusters. In each IO3 cluster, there are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one I1- atom. The O–I bond length is 1.83 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one I1- atom. The O–I bond length is 1.84 Å. I1- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-554527
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; H12C4INO3; C-H-I-N-O
OSTI Identifier:
1267938
DOI:
10.17188/1267938

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on H12C4INO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267938.
Persson, Kristin, & Project, Materials. Materials Data on H12C4INO3 by Materials Project. United States. doi:10.17188/1267938.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on H12C4INO3 by Materials Project". United States. doi:10.17188/1267938. https://www.osti.gov/servlets/purl/1267938. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1267938,
title = {Materials Data on H12C4INO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {N(CH3)4IO3 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four tetramethylammonium molecules and four IO3 clusters. In each IO3 cluster, there are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one I1- atom. The O–I bond length is 1.83 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one I1- atom. The O–I bond length is 1.84 Å. I1- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms.},
doi = {10.17188/1267938},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Dataset:

Save / Share: