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Title: Materials Data on Re6Pb5O19 by Materials Project

Abstract

Re6Pb5O19 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are four inequivalent Re+4.67+ sites. In the first Re+4.67+ site, Re+4.67+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 44–45°. There are a spread of Re–O bond distances ranging from 1.97–2.04 Å. In the second Re+4.67+ site, Re+4.67+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are a spread of Re–O bond distances ranging from 1.94–2.04 Å. In the third Re+4.67+ site, Re+4.67+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 45–46°. There are a spread of Re–O bond distances ranging from 1.94–2.03 Å. In the fourth Re+4.67+ site, Re+4.67+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 46–47°. There are two shorter (1.99 Å) and four longer (2.01 Å) Re–O bond lengths. There are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+more » is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.37–2.79 Å. In the second Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.34–2.79 Å. In the third Pb2+ site, Pb2+ is bonded in a hexagonal planar geometry to six O2- atoms. There are two shorter (2.57 Å) and four longer (2.58 Å) Pb–O bond lengths. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Re+4.67+ and one Pb2+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Re+4.67+ and two Pb2+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Re+4.67+ and two equivalent Pb2+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Re+4.67+ and two Pb2+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two Re+4.67+ and one Pb2+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Re+4.67+ and two equivalent Pb2+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two Re+4.67+ and one Pb2+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Re+4.67+ and two Pb2+ atoms. In the ninth O2- site, O2- is bonded in a tetrahedral geometry to four Pb2+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Re+4.67+ and two Pb2+ atoms. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to two Re+4.67+ and two Pb2+ atoms.« less

Publication Date:
Other Number(s):
mp-674367
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; Re6Pb5O19; O-Pb-Re
OSTI Identifier:
1282487
DOI:
10.17188/1282487

Citation Formats

The Materials Project. Materials Data on Re6Pb5O19 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282487.
The Materials Project. Materials Data on Re6Pb5O19 by Materials Project. United States. doi:10.17188/1282487.
The Materials Project. 2020. "Materials Data on Re6Pb5O19 by Materials Project". United States. doi:10.17188/1282487. https://www.osti.gov/servlets/purl/1282487. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1282487,
title = {Materials Data on Re6Pb5O19 by Materials Project},
author = {The Materials Project},
abstractNote = {Re6Pb5O19 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are four inequivalent Re+4.67+ sites. In the first Re+4.67+ site, Re+4.67+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 44–45°. There are a spread of Re–O bond distances ranging from 1.97–2.04 Å. In the second Re+4.67+ site, Re+4.67+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 44–47°. There are a spread of Re–O bond distances ranging from 1.94–2.04 Å. In the third Re+4.67+ site, Re+4.67+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 45–46°. There are a spread of Re–O bond distances ranging from 1.94–2.03 Å. In the fourth Re+4.67+ site, Re+4.67+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 46–47°. There are two shorter (1.99 Å) and four longer (2.01 Å) Re–O bond lengths. There are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.37–2.79 Å. In the second Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.34–2.79 Å. In the third Pb2+ site, Pb2+ is bonded in a hexagonal planar geometry to six O2- atoms. There are two shorter (2.57 Å) and four longer (2.58 Å) Pb–O bond lengths. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Re+4.67+ and one Pb2+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two Re+4.67+ and two Pb2+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Re+4.67+ and two equivalent Pb2+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Re+4.67+ and two Pb2+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two Re+4.67+ and one Pb2+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Re+4.67+ and two equivalent Pb2+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two Re+4.67+ and one Pb2+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two Re+4.67+ and two Pb2+ atoms. In the ninth O2- site, O2- is bonded in a tetrahedral geometry to four Pb2+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Re+4.67+ and two Pb2+ atoms. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to two Re+4.67+ and two Pb2+ atoms.},
doi = {10.17188/1282487},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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