U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb5(Pb3Cl8)2 by Materials Project
Abstract
Rb5(Pb3Cl8)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 10-coordinate geometry to ten Cl atoms. There are a spread of Rb–Cl bond distances ranging from 3.31–3.69 Å. In the second Rb site, Rb is bonded in a 9-coordinate geometry to nine Cl atoms. There are a spread of Rb–Cl bond distances ranging from 3.28–3.82 Å. In the third Rb site, Rb is bonded in a distorted body-centered cubic geometry to eight equivalent Cl atoms. All Rb–Cl bond lengths are 3.58 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 4-coordinate geometry to four equivalent Cl atoms. All Pb–Cl bond lengths are 3.00 Å. In the second Pb site, Pb is bonded to six Cl atoms to form a mixture of distorted edge and corner-sharing PbCl6 pentagonal pyramids. There are a spread of Pb–Cl bond distances ranging from 2.92–3.07 Å. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded to four Rb and two equivalent Pb atoms to form edge-sharing ClRb4Pb2 octahedra. In the second Cl site, Cl ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1210190
- 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; Rb5(Pb3Cl8)2; Cl-Pb-Rb
- OSTI Identifier:
- 1733759
- DOI:
- https://doi.org/10.17188/1733759
Citation Formats
The Materials Project. Materials Data on Rb5(Pb3Cl8)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1733759.
The Materials Project. Materials Data on Rb5(Pb3Cl8)2 by Materials Project. United States. doi:https://doi.org/10.17188/1733759
The Materials Project. 2020.
"Materials Data on Rb5(Pb3Cl8)2 by Materials Project". United States. doi:https://doi.org/10.17188/1733759. https://www.osti.gov/servlets/purl/1733759. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1733759,
title = {Materials Data on Rb5(Pb3Cl8)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb5(Pb3Cl8)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 10-coordinate geometry to ten Cl atoms. There are a spread of Rb–Cl bond distances ranging from 3.31–3.69 Å. In the second Rb site, Rb is bonded in a 9-coordinate geometry to nine Cl atoms. There are a spread of Rb–Cl bond distances ranging from 3.28–3.82 Å. In the third Rb site, Rb is bonded in a distorted body-centered cubic geometry to eight equivalent Cl atoms. All Rb–Cl bond lengths are 3.58 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 4-coordinate geometry to four equivalent Cl atoms. All Pb–Cl bond lengths are 3.00 Å. In the second Pb site, Pb is bonded to six Cl atoms to form a mixture of distorted edge and corner-sharing PbCl6 pentagonal pyramids. There are a spread of Pb–Cl bond distances ranging from 2.92–3.07 Å. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded to four Rb and two equivalent Pb atoms to form edge-sharing ClRb4Pb2 octahedra. In the second Cl site, Cl is bonded in a distorted see-saw-like geometry to two equivalent Rb and two equivalent Pb atoms. In the third Cl site, Cl is bonded in a 5-coordinate geometry to three equivalent Rb and two equivalent Pb atoms. In the fourth Cl site, Cl is bonded in a 5-coordinate geometry to three Rb and two Pb atoms.},
doi = {10.17188/1733759},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}