U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cu2BO6 by Materials Project
Abstract
Cu2BO6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cu is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Cu–O bond distances ranging from 1.82–2.62 Å. B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.36 Å) and one longer (1.40 Å) B–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent Cu atoms. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Cu and one B atom. In the third O site, O is bonded in a water-like geometry to two equivalent Cu atoms. In the fourth O site, O is bonded in a water-like geometry to two equivalent Cu atoms. In the fifth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Cu and one B atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1196064
- 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; Cu2BO6; B-Cu-O
- OSTI Identifier:
- 1676083
- DOI:
- https://doi.org/10.17188/1676083
Citation Formats
The Materials Project. Materials Data on Cu2BO6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1676083.
The Materials Project. Materials Data on Cu2BO6 by Materials Project. United States. doi:https://doi.org/10.17188/1676083
The Materials Project. 2019.
"Materials Data on Cu2BO6 by Materials Project". United States. doi:https://doi.org/10.17188/1676083. https://www.osti.gov/servlets/purl/1676083. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1676083,
title = {Materials Data on Cu2BO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu2BO6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cu is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Cu–O bond distances ranging from 1.82–2.62 Å. B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.36 Å) and one longer (1.40 Å) B–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent Cu atoms. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Cu and one B atom. In the third O site, O is bonded in a water-like geometry to two equivalent Cu atoms. In the fourth O site, O is bonded in a water-like geometry to two equivalent Cu atoms. In the fifth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Cu and one B atom.},
doi = {10.17188/1676083},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}