U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs3BO3 by Materials Project
Abstract
Cs3BO3 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are five inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to six O2- atoms to form distorted corner-sharing CsO6 pentagonal pyramids. There are a spread of Cs–O bond distances ranging from 3.14–3.24 Å. In the second Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 2.88–3.33 Å. In the third Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.86 Å) and two longer (2.94 Å) Cs–O bond lengths. In the fourth Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.00–3.48 Å. In the fifth Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.01–3.45 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.40 Å) and two longer (1.41 Å) B–O bond length.more »
- Publication Date:
- Other Number(s):
- mp-1019608
- 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; B-Cs-O; Cs3BO3; crystal structure
- OSTI Identifier:
- 1350866
- DOI:
- https://doi.org/10.17188/1350866
Citation Formats
Materials Data on Cs3BO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350866.
Materials Data on Cs3BO3 by Materials Project. United States. doi:https://doi.org/10.17188/1350866
2020.
"Materials Data on Cs3BO3 by Materials Project". United States. doi:https://doi.org/10.17188/1350866. https://www.osti.gov/servlets/purl/1350866. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1350866,
title = {Materials Data on Cs3BO3 by Materials Project},
abstractNote = {Cs3BO3 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are five inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to six O2- atoms to form distorted corner-sharing CsO6 pentagonal pyramids. There are a spread of Cs–O bond distances ranging from 3.14–3.24 Å. In the second Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to five O2- atoms. There are a spread of Cs–O bond distances ranging from 2.88–3.33 Å. In the third Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are one shorter (2.86 Å) and two longer (2.94 Å) Cs–O bond lengths. In the fourth Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.00–3.48 Å. In the fifth Cs1+ site, Cs1+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.01–3.45 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.40 Å) and two longer (1.41 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.40 Å) and two longer (1.41 Å) B–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one B3+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to five Cs1+ and one B3+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to six Cs1+ and one B3+ atom.},
doi = {10.17188/1350866},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}