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Title: Materials Data on Re6Pb6O19 by Materials Project

Abstract

Re6Pb6O19 crystallizes in the orthorhombic Pnn2 space group. The structure is three-dimensional. there are four inequivalent Re+4.33+ sites. In the first Re+4.33+ site, Re+4.33+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 48–49°. There are two shorter (2.02 Å) and four longer (2.03 Å) Re–O bond lengths. In the second Re+4.33+ site, Re+4.33+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 48–49°. There are three shorter (2.02 Å) and three longer (2.03 Å) Re–O bond lengths. In the third Re+4.33+ site, Re+4.33+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 48–49°. There are a spread of Re–O bond distances ranging from 2.01–2.03 Å. In the fourth Re+4.33+ site, Re+4.33+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two shorter (2.02 Å) and four longer (2.03 Å) Re–O bond lengths. There are three inequivalent Pb2+ sites. In the firstmore » 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 2.37–2.76 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 2.38–2.76 Å. In the third Pb2+ site, Pb2+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.54–2.59 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Re+4.33+ and two Pb2+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Re+4.33+ and two Pb2+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Re+4.33+ and two Pb2+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Re+4.33+ and two Pb2+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Re+4.33+ and two equivalent Pb2+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Re+4.33+ and two Pb2+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two Re+4.33+ and two Pb2+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Re+4.33+ and two equivalent Pb2+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Re+4.33+ and two Pb2+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to two Re+4.33+ and two Pb2+ atoms. In the eleventh O2- site, O2- is bonded in a tetrahedral geometry to four Pb2+ atoms.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1290978
Report Number(s):
mp-758073
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Re6Pb6O19; O-Pb-Re

Citation Formats

The Materials Project. Materials Data on Re6Pb6O19 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290978.
The Materials Project. Materials Data on Re6Pb6O19 by Materials Project. United States. https://doi.org/10.17188/1290978
The Materials Project. 2020. "Materials Data on Re6Pb6O19 by Materials Project". United States. https://doi.org/10.17188/1290978. https://www.osti.gov/servlets/purl/1290978.
@article{osti_1290978,
title = {Materials Data on Re6Pb6O19 by Materials Project},
author = {The Materials Project},
abstractNote = {Re6Pb6O19 crystallizes in the orthorhombic Pnn2 space group. The structure is three-dimensional. there are four inequivalent Re+4.33+ sites. In the first Re+4.33+ site, Re+4.33+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 48–49°. There are two shorter (2.02 Å) and four longer (2.03 Å) Re–O bond lengths. In the second Re+4.33+ site, Re+4.33+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 48–49°. There are three shorter (2.02 Å) and three longer (2.03 Å) Re–O bond lengths. In the third Re+4.33+ site, Re+4.33+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 48–49°. There are a spread of Re–O bond distances ranging from 2.01–2.03 Å. In the fourth Re+4.33+ site, Re+4.33+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two shorter (2.02 Å) and four longer (2.03 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 2.37–2.76 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 2.38–2.76 Å. In the third Pb2+ site, Pb2+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.54–2.59 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Re+4.33+ and two Pb2+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Re+4.33+ and two Pb2+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Re+4.33+ and two Pb2+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Re+4.33+ and two Pb2+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Re+4.33+ and two equivalent Pb2+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two Re+4.33+ and two Pb2+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two Re+4.33+ and two Pb2+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Re+4.33+ and two equivalent Pb2+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Re+4.33+ and two Pb2+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to two Re+4.33+ and two Pb2+ atoms. In the eleventh O2- site, O2- is bonded in a tetrahedral geometry to four Pb2+ atoms.},
doi = {10.17188/1290978},
url = {https://www.osti.gov/biblio/1290978}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}