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Title: Materials Data on Re2PbO6 by Materials Project

Abstract

Re2PbO6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Re5+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with four equivalent ReO6 octahedra, edges with two equivalent PbO12 cuboctahedra, and an edgeedge with one ReO6 octahedra. The corner-sharing octahedra tilt angles range from 17–26°. There are a spread of Re–O bond distances ranging from 1.89–2.07 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Pb–O bond lengths are 2.34 Å. In the second Pb2+ site, Pb2+ is bonded to twelve O2- atoms to form distorted PbO12 cuboctahedra that share edges with twelve equivalent ReO6 octahedra. There are six shorter (2.75 Å) and six longer (3.17 Å) Pb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Re5+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Re5+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Re5+ and two Pb2+ atoms.

Publication Date:
Other Number(s):
mp-558655
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; Re2PbO6; O-Pb-Re
OSTI Identifier:
1270439
DOI:
10.17188/1270439

Citation Formats

The Materials Project. Materials Data on Re2PbO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270439.
The Materials Project. Materials Data on Re2PbO6 by Materials Project. United States. doi:10.17188/1270439.
The Materials Project. 2020. "Materials Data on Re2PbO6 by Materials Project". United States. doi:10.17188/1270439. https://www.osti.gov/servlets/purl/1270439. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1270439,
title = {Materials Data on Re2PbO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Re2PbO6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Re5+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with four equivalent ReO6 octahedra, edges with two equivalent PbO12 cuboctahedra, and an edgeedge with one ReO6 octahedra. The corner-sharing octahedra tilt angles range from 17–26°. There are a spread of Re–O bond distances ranging from 1.89–2.07 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Pb–O bond lengths are 2.34 Å. In the second Pb2+ site, Pb2+ is bonded to twelve O2- atoms to form distorted PbO12 cuboctahedra that share edges with twelve equivalent ReO6 octahedra. There are six shorter (2.75 Å) and six longer (3.17 Å) Pb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Re5+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Re5+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Re5+ and two Pb2+ atoms.},
doi = {10.17188/1270439},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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