Materials Data on K4Sb2O3 by Materials Project
Abstract
K4SbO3Sb crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two antimony molecules and two K4SbO3 sheets oriented in the (0, 0, 1) direction. In each K4SbO3 sheet, there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All K–O bond lengths are 2.66 Å. In the second K1+ site, K1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All K–O bond lengths are 3.19 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to three equivalent O2- atoms. All K–O bond lengths are 2.95 Å. In the fourth K1+ site, K1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All K–O bond lengths are 2.56 Å. Sb1+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Sb–O bond lengths are 1.93 Å. O2- is bonded to five K1+ and one Sb1+ atom to form a mixture of distorted face and corner-sharing OK5Sb octahedra. The corner-sharing octahedra tilt angles range from 5–60°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-29696
- 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; K4Sb2O3; K-O-Sb
- OSTI Identifier:
- 1204173
- DOI:
- https://doi.org/10.17188/1204173
Citation Formats
The Materials Project. Materials Data on K4Sb2O3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204173.
The Materials Project. Materials Data on K4Sb2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1204173
The Materials Project. 2020.
"Materials Data on K4Sb2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1204173. https://www.osti.gov/servlets/purl/1204173. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1204173,
title = {Materials Data on K4Sb2O3 by Materials Project},
author = {The Materials Project},
abstractNote = {K4SbO3Sb crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two antimony molecules and two K4SbO3 sheets oriented in the (0, 0, 1) direction. In each K4SbO3 sheet, there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All K–O bond lengths are 2.66 Å. In the second K1+ site, K1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All K–O bond lengths are 3.19 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to three equivalent O2- atoms. All K–O bond lengths are 2.95 Å. In the fourth K1+ site, K1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All K–O bond lengths are 2.56 Å. Sb1+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Sb–O bond lengths are 1.93 Å. O2- is bonded to five K1+ and one Sb1+ atom to form a mixture of distorted face and corner-sharing OK5Sb octahedra. The corner-sharing octahedra tilt angles range from 5–60°.},
doi = {10.17188/1204173},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}