U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb5GaO4 by Materials Project
Abstract
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 andmore »
- Publication Date:
- Other Number(s):
- mp-1020613
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ga-O-Rb; Rb5GaO4; crystal structure
- OSTI Identifier:
- 1351451
- DOI:
- https://doi.org/10.17188/1351451
Citation Formats
Materials Data on Rb5GaO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1351451.
Materials Data on Rb5GaO4 by Materials Project. United States. doi:https://doi.org/10.17188/1351451
2020.
"Materials Data on Rb5GaO4 by Materials Project". United States. doi:https://doi.org/10.17188/1351451. https://www.osti.gov/servlets/purl/1351451. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1351451,
title = {Materials Data on Rb5GaO4 by Materials Project},
abstractNote = {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.},
doi = {10.17188/1351451},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}