U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K6Be4C6O19 by Materials Project
Abstract
K6Be4C6O19 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.17 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.66–2.96 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 is two shorter (1.64 Å) and two longer (1.65 Å) Be–O bond length. In the second Be2+ site, Be2+ is bonded to four O2- atoms to form corner-sharing BeO4 tetrahedra. There is three shorter (1.64 Å) and one longer (1.69 Å) Be–O bond length. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.27–1.32 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.27 Å)more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-555866
- 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; K6Be4C6O19; Be-C-K-O
- OSTI Identifier:
- 1269036
- DOI:
- https://doi.org/10.17188/1269036
Citation Formats
The Materials Project. Materials Data on K6Be4C6O19 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269036.
The Materials Project. Materials Data on K6Be4C6O19 by Materials Project. United States. doi:https://doi.org/10.17188/1269036
The Materials Project. 2020.
"Materials Data on K6Be4C6O19 by Materials Project". United States. doi:https://doi.org/10.17188/1269036. https://www.osti.gov/servlets/purl/1269036. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1269036,
title = {Materials Data on K6Be4C6O19 by Materials Project},
author = {The Materials Project},
abstractNote = {K6Be4C6O19 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.17 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.66–2.96 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 is two shorter (1.64 Å) and two longer (1.65 Å) Be–O bond length. In the second Be2+ site, Be2+ is bonded to four O2- atoms to form corner-sharing BeO4 tetrahedra. There is three shorter (1.64 Å) and one longer (1.69 Å) Be–O bond length. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.27–1.32 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.27 Å) and two longer (1.31 Å) C–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one C4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one C4+ atom. In the third O2- site, O2- is bonded in a tetrahedral geometry to four Be2+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+, one Be2+, and one C4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one Be2+, and one C4+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two K1+, one Be2+, and one C4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two K1+, one Be2+, and one C4+ atom.},
doi = {10.17188/1269036},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}