Materials Data on RbAg5Se3 by Materials Project
RbAg5Se3 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All Rb–Se bond lengths are 3.65 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.69–3.36 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted square co-planar geometry to four equivalent Se2- atoms. All Ag–Se bond lengths are 3.05 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 8-coordinate geometry to four equivalent Rb1+ and four equivalent Ag1+ atoms. In the second Se2- site, Se2- is bonded to twelve Ag1+ atoms to form a mixture of distorted face and corner-sharing SeAg12 cuboctahedra.
- 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:
- 1204164
- Report Number(s):
- mp-29685
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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