U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbPbBr3 by Materials Project
Abstract
RbPbBr3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.46–3.85 Å. Pb2+ is bonded to six Br1- atoms to form a mixture of corner and edge-sharing PbBr6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of Pb–Br bond distances ranging from 3.04–3.10 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to two equivalent Rb1+ and two equivalent Pb2+ atoms to form distorted BrRb2Pb2 tetrahedra that share corners with four equivalent BrRb2Pb2 tetrahedra, corners with eight equivalent BrRb3Pb2 trigonal bipyramids, and edges with six equivalent BrRb3Pb2 trigonal bipyramids. In the second Br1- site, Br1- is bonded to three equivalent Rb1+ and two equivalent Pb2+ atoms to form distorted BrRb3Pb2 trigonal bipyramids that share corners with four equivalent BrRb2Pb2 tetrahedra, corners with nine equivalent BrRb3Pb2 trigonal bipyramids, edges with three equivalent BrRb2Pb2 tetrahedra, and edges with six equivalent BrRb3Pb2 trigonal bipyramids.
- Publication Date:
- Other Number(s):
- mp-998603
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Br-Pb-Rb; RbPbBr3; crystal structure
- OSTI Identifier:
- 1317361
- DOI:
- https://doi.org/10.17188/1317361
Citation Formats
Materials Data on RbPbBr3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1317361.
Materials Data on RbPbBr3 by Materials Project. United States. doi:https://doi.org/10.17188/1317361
2020.
"Materials Data on RbPbBr3 by Materials Project". United States. doi:https://doi.org/10.17188/1317361. https://www.osti.gov/servlets/purl/1317361. Pub date:Mon Jul 20 04:00:00 UTC 2020
@article{osti_1317361,
title = {Materials Data on RbPbBr3 by Materials Project},
abstractNote = {RbPbBr3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.46–3.85 Å. Pb2+ is bonded to six Br1- atoms to form a mixture of corner and edge-sharing PbBr6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of Pb–Br bond distances ranging from 3.04–3.10 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to two equivalent Rb1+ and two equivalent Pb2+ atoms to form distorted BrRb2Pb2 tetrahedra that share corners with four equivalent BrRb2Pb2 tetrahedra, corners with eight equivalent BrRb3Pb2 trigonal bipyramids, and edges with six equivalent BrRb3Pb2 trigonal bipyramids. In the second Br1- site, Br1- is bonded to three equivalent Rb1+ and two equivalent Pb2+ atoms to form distorted BrRb3Pb2 trigonal bipyramids that share corners with four equivalent BrRb2Pb2 tetrahedra, corners with nine equivalent BrRb3Pb2 trigonal bipyramids, edges with three equivalent BrRb2Pb2 tetrahedra, and edges with six equivalent BrRb3Pb2 trigonal bipyramids.},
doi = {10.17188/1317361},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}