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

Title: Materials Data on ReNCl4 by Materials Project

Abstract

ReNCl4 crystallizes in the tetragonal I4 space group. The structure is one-dimensional and consists of two ReNCl4 ribbons oriented in the (0, 0, 1) direction. Re7+ is bonded to two equivalent N3- and four equivalent Cl1- atoms to form distorted corner-sharing ReN2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0°. There are one shorter (1.69 Å) and one longer (2.42 Å) Re–N bond lengths. All Re–Cl bond lengths are 2.31 Å. N3- is bonded in a distorted linear geometry to two equivalent Re7+ atoms. Cl1- is bonded in a single-bond geometry to one Re7+ atom.

Authors:
Publication Date:
Other Number(s):
mp-568100
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; ReNCl4; Cl-N-Re
OSTI Identifier:
1274246
DOI:
https://doi.org/10.17188/1274246

Citation Formats

The Materials Project. Materials Data on ReNCl4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274246.
The Materials Project. Materials Data on ReNCl4 by Materials Project. United States. doi:https://doi.org/10.17188/1274246
The Materials Project. 2020. "Materials Data on ReNCl4 by Materials Project". United States. doi:https://doi.org/10.17188/1274246. https://www.osti.gov/servlets/purl/1274246. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1274246,
title = {Materials Data on ReNCl4 by Materials Project},
author = {The Materials Project},
abstractNote = {ReNCl4 crystallizes in the tetragonal I4 space group. The structure is one-dimensional and consists of two ReNCl4 ribbons oriented in the (0, 0, 1) direction. Re7+ is bonded to two equivalent N3- and four equivalent Cl1- atoms to form distorted corner-sharing ReN2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0°. There are one shorter (1.69 Å) and one longer (2.42 Å) Re–N bond lengths. All Re–Cl bond lengths are 2.31 Å. N3- is bonded in a distorted linear geometry to two equivalent Re7+ atoms. Cl1- is bonded in a single-bond geometry to one Re7+ atom.},
doi = {10.17188/1274246},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}