Materials Data on Rb2ZrO3 by Materials Project
Rb2ZrO3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.79–2.86 Å. In the second Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.37 Å. Zr4+ is bonded to five O2- atoms to form edge-sharing ZrO5 trigonal bipyramids. There are a spread of Zr–O bond distances ranging from 1.97–2.18 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two equivalent Zr4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Rb1+ and one Zr4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three Rb1+ and two equivalent Zr4+ atoms.
- 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:
- 1288533
- Report Number(s):
- mp-752401
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on Rb2ZrO3 by Materials Project
Materials Data on Rb2ZrO3 by Materials Project