Materials Data on Cs4K2Cu(SiO4)2 by Materials Project
Abstract
Cs4K2Cu(SiO4)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.04–3.30 Å. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.73 Å) and four longer (2.83 Å) K–O bond lengths. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 2.00 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.69 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, two equivalent K1+, one Cu2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Cs1+, one K1+, and one Si4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-628617
- 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; Cs4K2Cu(SiO4)2; Cs-Cu-K-O-Si
- OSTI Identifier:
- 1278919
- DOI:
- https://doi.org/10.17188/1278919
Citation Formats
The Materials Project. Materials Data on Cs4K2Cu(SiO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1278919.
The Materials Project. Materials Data on Cs4K2Cu(SiO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1278919
The Materials Project. 2020.
"Materials Data on Cs4K2Cu(SiO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1278919. https://www.osti.gov/servlets/purl/1278919. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1278919,
title = {Materials Data on Cs4K2Cu(SiO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs4K2Cu(SiO4)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.04–3.30 Å. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are two shorter (2.73 Å) and four longer (2.83 Å) K–O bond lengths. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 2.00 Å. Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.64 Å) and two longer (1.69 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, two equivalent K1+, one Cu2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Cs1+, one K1+, and one Si4+ atom.},
doi = {10.17188/1278919},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}