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Title: Materials Data on Re(Cl2O)2 by Materials Project

Abstract

Re(OCl2)2 crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four Re(OCl2)2 clusters. Re is bonded in a 6-coordinate geometry to two O and four Cl atoms. There is one shorter (1.74 Å) and one longer (1.83 Å) Re–O bond length. There are a spread of Re–Cl bond distances ranging from 2.24–2.54 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Re and one Cl atom. The O–Cl bond length is 2.33 Å. In the second O site, O is bonded in a single-bond geometry to one Re atom. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a 1-coordinate geometry to one Re and one O atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Re atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Re atom. In the fourth Cl site, Cl is bonded in a single-bond geometry to one Re atom.

Authors:
Publication Date:
Other Number(s):
mp-1193507
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; Re(Cl2O)2; Cl-O-Re
OSTI Identifier:
1672534
DOI:
https://doi.org/10.17188/1672534

Citation Formats

The Materials Project. Materials Data on Re(Cl2O)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672534.
The Materials Project. Materials Data on Re(Cl2O)2 by Materials Project. United States. doi:https://doi.org/10.17188/1672534
The Materials Project. 2020. "Materials Data on Re(Cl2O)2 by Materials Project". United States. doi:https://doi.org/10.17188/1672534. https://www.osti.gov/servlets/purl/1672534. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1672534,
title = {Materials Data on Re(Cl2O)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Re(OCl2)2 crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four Re(OCl2)2 clusters. Re is bonded in a 6-coordinate geometry to two O and four Cl atoms. There is one shorter (1.74 Å) and one longer (1.83 Å) Re–O bond length. There are a spread of Re–Cl bond distances ranging from 2.24–2.54 Å. There are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Re and one Cl atom. The O–Cl bond length is 2.33 Å. In the second O site, O is bonded in a single-bond geometry to one Re atom. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a 1-coordinate geometry to one Re and one O atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Re atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Re atom. In the fourth Cl site, Cl is bonded in a single-bond geometry to one Re atom.},
doi = {10.17188/1672534},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}