Materials Data on CsB9O13 by Materials Project
Abstract
CsB9O13 crystallizes in the tetragonal P4_122 space group. The structure is three-dimensional. Cs is bonded in a 2-coordinate geometry to two equivalent O atoms. Both Cs–O bond lengths are 2.97 Å. There are five inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.36–1.38 Å. In the second B site, B is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.34 Å) and two longer (1.40 Å) B–O bond length. In the third B site, B is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.32 Å) and two longer (1.41 Å) B–O bond length. In the fourth B site, B is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.46 Å) and two longer (1.48 Å) B–O bond length. In the fifth B site, B is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.33 Å) and one longer (1.43 Å) B–O bond length. There are seven inequivalent O sites. In the first Omore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-531006
- 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; CsB9O13; B-Cs-O
- OSTI Identifier:
- 1263289
- DOI:
- https://doi.org/10.17188/1263289
Citation Formats
The Materials Project. Materials Data on CsB9O13 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1263289.
The Materials Project. Materials Data on CsB9O13 by Materials Project. United States. doi:https://doi.org/10.17188/1263289
The Materials Project. 2020.
"Materials Data on CsB9O13 by Materials Project". United States. doi:https://doi.org/10.17188/1263289. https://www.osti.gov/servlets/purl/1263289. Pub date:Sat May 30 00:00:00 EDT 2020
@article{osti_1263289,
title = {Materials Data on CsB9O13 by Materials Project},
author = {The Materials Project},
abstractNote = {CsB9O13 crystallizes in the tetragonal P4_122 space group. The structure is three-dimensional. Cs is bonded in a 2-coordinate geometry to two equivalent O atoms. Both Cs–O bond lengths are 2.97 Å. There are five inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There are a spread of B–O bond distances ranging from 1.36–1.38 Å. In the second B site, B is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.34 Å) and two longer (1.40 Å) B–O bond length. In the third B site, B is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.32 Å) and two longer (1.41 Å) B–O bond length. In the fourth B site, B is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.46 Å) and two longer (1.48 Å) B–O bond length. In the fifth B site, B is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.33 Å) and one longer (1.43 Å) B–O bond length. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Cs and two B atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent B atoms. In the third O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two B atoms. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to two B atoms. In the sixth O site, O is bonded in a bent 150 degrees geometry to two B atoms. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to two B atoms.},
doi = {10.17188/1263289},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 30 00:00:00 EDT 2020},
month = {Sat May 30 00:00:00 EDT 2020}
}