Materials Data on Rb2CoO3 by Materials Project
Rb2CoO3 crystallizes in the orthorhombic Cmce 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 2.92–3.03 Å. In the second Rb1+ site, Rb1+ is bonded to seven O2- atoms to form distorted RbO7 pentagonal bipyramids that share corners with four equivalent RbO7 pentagonal bipyramids, a cornercorner with one CoO4 tetrahedra, edges with three equivalent RbO7 pentagonal bipyramids, and edges with four equivalent CoO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.92–3.01 Å. Co4+ is bonded to four O2- atoms to form CoO4 tetrahedra that share a cornercorner with one RbO7 pentagonal bipyramid, corners with two equivalent CoO4 tetrahedra, and edges with four equivalent RbO7 pentagonal bipyramids. There are a spread of Co–O bond distances ranging from 1.77–1.87 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Rb1+ and two equivalent Co4+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five Rb1+ and one Co4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Rb1+ and one Co4+ 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:
- 1307316
- Report Number(s):
- mp-780880
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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