U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2SnC4O9 by Materials Project
Abstract
K2SnC4O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first 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 2.65–3.28 Å. In the second K1+ site, K1+ is bonded to seven O2- atoms to form distorted edge-sharing KO7 pentagonal bipyramids. There are a spread of K–O bond distances ranging from 2.71–2.90 Å. Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.20–2.41 Å. There are four inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.29 Å) C–O bond length. In the second C+3.50+ site, C+3.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. In the third C+3.50+ site, C+3.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199102
- 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; K2SnC4O9; C-K-O-Sn
- OSTI Identifier:
- 1685565
- DOI:
- https://doi.org/10.17188/1685565
Citation Formats
The Materials Project. Materials Data on K2SnC4O9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685565.
The Materials Project. Materials Data on K2SnC4O9 by Materials Project. United States. doi:https://doi.org/10.17188/1685565
The Materials Project. 2020.
"Materials Data on K2SnC4O9 by Materials Project". United States. doi:https://doi.org/10.17188/1685565. https://www.osti.gov/servlets/purl/1685565. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685565,
title = {Materials Data on K2SnC4O9 by Materials Project},
author = {The Materials Project},
abstractNote = {K2SnC4O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first 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 2.65–3.28 Å. In the second K1+ site, K1+ is bonded to seven O2- atoms to form distorted edge-sharing KO7 pentagonal bipyramids. There are a spread of K–O bond distances ranging from 2.71–2.90 Å. Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.20–2.41 Å. There are four inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.29 Å) C–O bond length. In the second C+3.50+ site, C+3.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. In the third C+3.50+ site, C+3.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. In the fourth C+3.50+ site, C+3.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.29 Å) C–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C+3.50+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one K1+, one Sn2+, and one C+3.50+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one C+3.50+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Sn2+, and one C+3.50+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C+3.50+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Sn2+, and one C+3.50+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one K1+ and one C+3.50+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one Sn2+, and one C+3.50+ atom. In the ninth O2- site, O2- is bonded in a distorted L-shaped geometry to two K1+ atoms.},
doi = {10.17188/1685565},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}