Materials Data on Rb3PbCl5 by Materials Project
Rb3PbCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to seven Cl1- atoms to form a mixture of distorted edge and corner-sharing RbCl7 pentagonal bipyramids. There are a spread of Rb–Cl bond distances ranging from 3.26–3.66 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.29–3.50 Å. Pb2+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Pb–Cl bond distances ranging from 2.73–3.48 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 6-coordinate geometry to four Rb1+ and two equivalent Pb2+ atoms. In the second Cl1- site, Cl1- is bonded to five Rb1+ and one Pb2+ atom to form a mixture of distorted edge, corner, and face-sharing ClRb5Pb octahedra. The corner-sharing octahedra tilt angles range from 37–38°. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four Rb1+ and one Pb2+ atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1204317
- Report Number(s):
- mp-29883
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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