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Title: Materials Data on RbPbF3 by Materials Project

Abstract

RbPbF3 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Rb–F bond distances ranging from 2.84–3.06 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Rb–F bond distances ranging from 2.83–3.02 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to six F1- atoms to form corner-sharing PbF6 octahedra. The corner-sharing octahedra tilt angles range from 29–35°. There are a spread of Pb–F bond distances ranging from 2.38–2.62 Å. In the second Pb2+ site, Pb2+ is bonded to six F1- atoms to form corner-sharing PbF6 octahedra. The corner-sharing octahedra tilt angles range from 29–35°. There are a spread of Pb–F bond distances ranging from 2.38–2.58 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded to two Rb1+ and two Pb2+ atoms to form a mixture of distorted corner and edge-sharing FRb2Pb2 tetrahedra. In the second F1- site, F1- is bonded to twomore » Rb1+ and two Pb2+ atoms to form a mixture of distorted corner and edge-sharing FRb2Pb2 tetrahedra. In the third F1- site, F1- is bonded to two Rb1+ and two Pb2+ atoms to form a mixture of distorted corner and edge-sharing FRb2Pb2 tetrahedra. In the fourth F1- site, F1- is bonded to two Rb1+ and two Pb2+ atoms to form a mixture of distorted corner and edge-sharing FRb2Pb2 tetrahedra. In the fifth F1- site, F1- is bonded to two Rb1+ and two Pb2+ atoms to form a mixture of distorted corner and edge-sharing FRb2Pb2 tetrahedra. In the sixth F1- site, F1- is bonded to two Rb1+ and two Pb2+ atoms to form a mixture of distorted corner and edge-sharing FRb2Pb2 tetrahedra.« less

Publication Date:
Other Number(s):
mp-674508
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; RbPbF3; F-Pb-Rb
OSTI Identifier:
1282509
DOI:
10.17188/1282509

Citation Formats

The Materials Project. Materials Data on RbPbF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282509.
The Materials Project. Materials Data on RbPbF3 by Materials Project. United States. doi:10.17188/1282509.
The Materials Project. 2020. "Materials Data on RbPbF3 by Materials Project". United States. doi:10.17188/1282509. https://www.osti.gov/servlets/purl/1282509. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1282509,
title = {Materials Data on RbPbF3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbPbF3 is Ilmenite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Rb–F bond distances ranging from 2.84–3.06 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Rb–F bond distances ranging from 2.83–3.02 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to six F1- atoms to form corner-sharing PbF6 octahedra. The corner-sharing octahedra tilt angles range from 29–35°. There are a spread of Pb–F bond distances ranging from 2.38–2.62 Å. In the second Pb2+ site, Pb2+ is bonded to six F1- atoms to form corner-sharing PbF6 octahedra. The corner-sharing octahedra tilt angles range from 29–35°. There are a spread of Pb–F bond distances ranging from 2.38–2.58 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded to two Rb1+ and two Pb2+ atoms to form a mixture of distorted corner and edge-sharing FRb2Pb2 tetrahedra. In the second F1- site, F1- is bonded to two Rb1+ and two Pb2+ atoms to form a mixture of distorted corner and edge-sharing FRb2Pb2 tetrahedra. In the third F1- site, F1- is bonded to two Rb1+ and two Pb2+ atoms to form a mixture of distorted corner and edge-sharing FRb2Pb2 tetrahedra. In the fourth F1- site, F1- is bonded to two Rb1+ and two Pb2+ atoms to form a mixture of distorted corner and edge-sharing FRb2Pb2 tetrahedra. In the fifth F1- site, F1- is bonded to two Rb1+ and two Pb2+ atoms to form a mixture of distorted corner and edge-sharing FRb2Pb2 tetrahedra. In the sixth F1- site, F1- is bonded to two Rb1+ and two Pb2+ atoms to form a mixture of distorted corner and edge-sharing FRb2Pb2 tetrahedra.},
doi = {10.17188/1282509},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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