Materials Data on CsPbBr3 by Materials Project
Abstract
CsPbBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.74–4.23 Å. Pb2+ is bonded to six Br1- atoms to form corner-sharing PbBr6 octahedra. The corner-sharing octahedra tilt angles range from 15–23°. All Pb–Br bond lengths are 3.03 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted see-saw-like geometry to two equivalent Cs1+ and two equivalent Pb2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Pb2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-567629
- 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; CsPbBr3; Br-Cs-Pb
- OSTI Identifier:
- 1273967
- DOI:
- https://doi.org/10.17188/1273967
Citation Formats
The Materials Project. Materials Data on CsPbBr3 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1273967.
The Materials Project. Materials Data on CsPbBr3 by Materials Project. United States. doi:https://doi.org/10.17188/1273967
The Materials Project. 2017.
"Materials Data on CsPbBr3 by Materials Project". United States. doi:https://doi.org/10.17188/1273967. https://www.osti.gov/servlets/purl/1273967. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1273967,
title = {Materials Data on CsPbBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsPbBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.74–4.23 Å. Pb2+ is bonded to six Br1- atoms to form corner-sharing PbBr6 octahedra. The corner-sharing octahedra tilt angles range from 15–23°. All Pb–Br bond lengths are 3.03 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted see-saw-like geometry to two equivalent Cs1+ and two equivalent Pb2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Pb2+ atoms.},
doi = {10.17188/1273967},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}
Works referencing / citing this record:
Mechanochemical synthesis of inorganic halide perovskites: evolution of phase-purity, morphology, and photoluminescence
journal, January 2019
- Palazon, Francisco; El Ajjouri, Yousra; Sebastia-Luna, Paz
- Journal of Materials Chemistry C, Vol. 7, Issue 37