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

Title: Materials Data on ReH2NCl4O by Materials Project

Abstract

ReNH2OCl4 is beta Sn-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ReNH2OCl4 clusters. Re7+ is bonded in a distorted octahedral geometry to one N3-, one O2-, and four Cl1- atoms. The Re–N bond length is 1.68 Å. The Re–O bond length is 2.48 Å. There are two shorter (2.31 Å) and two longer (2.33 Å) Re–Cl bond lengths. N3- is bonded in a single-bond geometry to one Re7+ atom. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a water-like geometry to one Re7+ and two equivalent H1+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom.

Publication Date:
Other Number(s):
mp-1203672
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; ReH2NCl4O; Cl-H-N-O-Re
OSTI Identifier:
1726884
DOI:
https://doi.org/10.17188/1726884

Citation Formats

The Materials Project. Materials Data on ReH2NCl4O by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1726884.
The Materials Project. Materials Data on ReH2NCl4O by Materials Project. United States. doi:https://doi.org/10.17188/1726884
The Materials Project. 2019. "Materials Data on ReH2NCl4O by Materials Project". United States. doi:https://doi.org/10.17188/1726884. https://www.osti.gov/servlets/purl/1726884. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1726884,
title = {Materials Data on ReH2NCl4O by Materials Project},
author = {The Materials Project},
abstractNote = {ReNH2OCl4 is beta Sn-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ReNH2OCl4 clusters. Re7+ is bonded in a distorted octahedral geometry to one N3-, one O2-, and four Cl1- atoms. The Re–N bond length is 1.68 Å. The Re–O bond length is 2.48 Å. There are two shorter (2.31 Å) and two longer (2.33 Å) Re–Cl bond lengths. N3- is bonded in a single-bond geometry to one Re7+ atom. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a water-like geometry to one Re7+ and two equivalent H1+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom.},
doi = {10.17188/1726884},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}