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Title: Materials Data on ReCl3O2 by Materials Project

Abstract

ReO2Cl3 is Tungsten structured and crystallizes in the orthorhombic Pnnm space group. The structure is zero-dimensional and consists of two ReO2Cl3 clusters. Re7+ is bonded in a 2-coordinate geometry to two equivalent O2- and four Cl1- atoms. Both Re–O bond lengths are 1.71 Å. There are two shorter (2.29 Å) and two longer (2.62 Å) Re–Cl bond lengths. O2- is bonded in a single-bond geometry to one Re7+ atom. There are three 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. In the third Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Re7+ atoms.

Publication Date:
Other Number(s):
mp-607436
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; ReCl3O2; Cl-O-Re
OSTI Identifier:
1277559
DOI:
https://doi.org/10.17188/1277559

Citation Formats

The Materials Project. Materials Data on ReCl3O2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277559.
The Materials Project. Materials Data on ReCl3O2 by Materials Project. United States. doi:https://doi.org/10.17188/1277559
The Materials Project. 2020. "Materials Data on ReCl3O2 by Materials Project". United States. doi:https://doi.org/10.17188/1277559. https://www.osti.gov/servlets/purl/1277559. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1277559,
title = {Materials Data on ReCl3O2 by Materials Project},
author = {The Materials Project},
abstractNote = {ReO2Cl3 is Tungsten structured and crystallizes in the orthorhombic Pnnm space group. The structure is zero-dimensional and consists of two ReO2Cl3 clusters. Re7+ is bonded in a 2-coordinate geometry to two equivalent O2- and four Cl1- atoms. Both Re–O bond lengths are 1.71 Å. There are two shorter (2.29 Å) and two longer (2.62 Å) Re–Cl bond lengths. O2- is bonded in a single-bond geometry to one Re7+ atom. There are three 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. In the third Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Re7+ atoms.},
doi = {10.17188/1277559},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}