Materials Data on Rb5GaO4 by Materials Project
Rb5GaO4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are five inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.34 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.76–2.98 Å. In the third Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.83–3.03 Å. In the fourth Rb1+ site, Rb1+ is bonded to four O2- atoms to form distorted RbO4 tetrahedra that share corners with two equivalent GaO4 tetrahedra, an edgeedge with one RbO4 tetrahedra, and an edgeedge with one GaO4 tetrahedra. There are a spread of Rb–O bond distances ranging from 2.77–2.88 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.77–2.88 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share corners with two equivalent RbO4 tetrahedra and an edgeedge with one RbO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.91–1.93 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five Rb1+ and one Ga3+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to six Rb1+ and one Ga3+ atom. In the third O2- site, O2- is bonded to five Rb1+ and one Ga3+ atom to form distorted corner-sharing ORb5Ga octahedra. The corner-sharing octahedral tilt angles are 67°. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to five Rb1+ and one Ga3+ 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:
- 1351451
- Report Number(s):
- mp-1020613
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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