Materials Data on Cs2Al2B2O7 by Materials Project
Abstract
Cs2Al2B2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 1-coordinate geometry to eleven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.12–3.66 Å. Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.73–1.77 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.39 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to three equivalent Cs1+, one Al3+, and one B3+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three equivalent Cs1+, one Al3+, and one B3+ atom. In the third O2- site, O2- is bonded in a linear geometry to four equivalent Cs1+ and two equivalent Al3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three equivalent Cs1+, one Al3+, and one B3+ atom.
- Publication Date:
- Other Number(s):
- mp-1019602
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Product Type:
- Dataset
- 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)
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Cs2Al2B2O7; Al-B-Cs-O
- OSTI Identifier:
- 1350694
- DOI:
- 10.17188/1350694
Citation Formats
The Materials Project. Materials Data on Cs2Al2B2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350694.
The Materials Project. Materials Data on Cs2Al2B2O7 by Materials Project. United States. doi:10.17188/1350694.
The Materials Project. 2020.
"Materials Data on Cs2Al2B2O7 by Materials Project". United States. doi:10.17188/1350694. https://www.osti.gov/servlets/purl/1350694. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1350694,
title = {Materials Data on Cs2Al2B2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Al2B2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 1-coordinate geometry to eleven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.12–3.66 Å. Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.73–1.77 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.37–1.39 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to three equivalent Cs1+, one Al3+, and one B3+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three equivalent Cs1+, one Al3+, and one B3+ atom. In the third O2- site, O2- is bonded in a linear geometry to four equivalent Cs1+ and two equivalent Al3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three equivalent Cs1+, one Al3+, and one B3+ atom.},
doi = {10.17188/1350694},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}