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Title: Materials Data on Re2PCl13 by Materials Project

Abstract

Re2Cl9PCl4 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two [pcl4]+1 molecules and two Re2Cl9 clusters. In each Re2Cl9 cluster, there are two inequivalent Re4+ sites. In the first Re4+ site, Re4+ is bonded to six Cl1- atoms to form face-sharing ReCl6 octahedra. There are a spread of Re–Cl bond distances ranging from 2.32–2.44 Å. In the second Re4+ site, Re4+ is bonded to six Cl1- atoms to form face-sharing ReCl6 octahedra. There are a spread of Re–Cl bond distances ranging from 2.31–2.44 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Re4+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Re4+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Re4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re4+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re4+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re4+ atom.

Publication Date:
Other Number(s):
mp-29878
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; Re2PCl13; Cl-P-Re
OSTI Identifier:
1204312
DOI:
https://doi.org/10.17188/1204312

Citation Formats

The Materials Project. Materials Data on Re2PCl13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204312.
The Materials Project. Materials Data on Re2PCl13 by Materials Project. United States. doi:https://doi.org/10.17188/1204312
The Materials Project. 2020. "Materials Data on Re2PCl13 by Materials Project". United States. doi:https://doi.org/10.17188/1204312. https://www.osti.gov/servlets/purl/1204312. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1204312,
title = {Materials Data on Re2PCl13 by Materials Project},
author = {The Materials Project},
abstractNote = {Re2Cl9PCl4 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two [pcl4]+1 molecules and two Re2Cl9 clusters. In each Re2Cl9 cluster, there are two inequivalent Re4+ sites. In the first Re4+ site, Re4+ is bonded to six Cl1- atoms to form face-sharing ReCl6 octahedra. There are a spread of Re–Cl bond distances ranging from 2.32–2.44 Å. In the second Re4+ site, Re4+ is bonded to six Cl1- atoms to form face-sharing ReCl6 octahedra. There are a spread of Re–Cl bond distances ranging from 2.31–2.44 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Re4+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two Re4+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Re4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re4+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re4+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Re4+ atom.},
doi = {10.17188/1204312},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}