U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbBe4(BO3)3 by Materials Project
Abstract
RbBe4B3O9 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 3.01–3.47 Å. There are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four O2- atoms to form corner-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.59–1.68 Å. In the second Be2+ site, Be2+ is bonded to four O2- atoms to form a mixture of corner and edge-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.61–1.65 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.38 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.41 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Rb1+, two Be2+, and one B3+ atom. In the second O2- site, O2- is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-556393
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; RbBe4(BO3)3; B-Be-O-Rb
- OSTI Identifier:
- 1269325
- DOI:
- https://doi.org/10.17188/1269325
Citation Formats
The Materials Project. Materials Data on RbBe4(BO3)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269325.
The Materials Project. Materials Data on RbBe4(BO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1269325
The Materials Project. 2020.
"Materials Data on RbBe4(BO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1269325. https://www.osti.gov/servlets/purl/1269325. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1269325,
title = {Materials Data on RbBe4(BO3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbBe4B3O9 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 3.01–3.47 Å. There are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four O2- atoms to form corner-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.59–1.68 Å. In the second Be2+ site, Be2+ is bonded to four O2- atoms to form a mixture of corner and edge-sharing BeO4 tetrahedra. There are a spread of Be–O bond distances ranging from 1.61–1.65 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. All B–O bond lengths are 1.38 Å. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.41 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to one Rb1+, two Be2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, two equivalent Be2+, and one B3+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to two Be2+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Rb1+, one Be2+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to one Rb1+, two equivalent Be2+, and one B3+ atom.},
doi = {10.17188/1269325},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}