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Title: Materials Data on RePbClO4 by Materials Project

Abstract

RePbO4Cl crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Re–O bond distances ranging from 1.74–1.77 Å. Pb2+ is bonded in a 7-coordinate geometry to three O2- and four equivalent Cl1- atoms. There are two shorter (2.49 Å) and one longer (2.77 Å) Pb–O bond lengths. There are a spread of Pb–Cl bond distances ranging from 2.79–3.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and one Pb2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. Cl1- is bonded in a 1-coordinate geometry to four equivalent Pb2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-560625
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; RePbClO4; Cl-O-Pb-Re
OSTI Identifier:
1271581
DOI:
https://doi.org/10.17188/1271581

Citation Formats

The Materials Project. Materials Data on RePbClO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1271581.
The Materials Project. Materials Data on RePbClO4 by Materials Project. United States. doi:https://doi.org/10.17188/1271581
The Materials Project. 2020. "Materials Data on RePbClO4 by Materials Project". United States. doi:https://doi.org/10.17188/1271581. https://www.osti.gov/servlets/purl/1271581. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1271581,
title = {Materials Data on RePbClO4 by Materials Project},
author = {The Materials Project},
abstractNote = {RePbO4Cl crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Re7+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Re–O bond distances ranging from 1.74–1.77 Å. Pb2+ is bonded in a 7-coordinate geometry to three O2- and four equivalent Cl1- atoms. There are two shorter (2.49 Å) and one longer (2.77 Å) Pb–O bond lengths. There are a spread of Pb–Cl bond distances ranging from 2.79–3.40 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and one Pb2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. Cl1- is bonded in a 1-coordinate geometry to four equivalent Pb2+ atoms.},
doi = {10.17188/1271581},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}