Materials Data on K2Co(SO5)2 by Materials Project
Abstract
K2Co(SO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 3-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.78–3.25 Å. Co is bonded to six O atoms to form CoO6 octahedra that share corners with four equivalent SO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.75–2.14 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 45–55°. There are a spread of S–O bond distances ranging from 1.46–1.56 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent K and one S atom. In the second O site, O is bonded in a 1-coordinate geometry to two equivalent K, one Co, and one S atom. In the third O site, O is bonded in a bent 120 degrees geometry to one K, one Co, and one S atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent K and one S atom. In themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1181029
- 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; K2Co(SO5)2; Co-K-O-S
- OSTI Identifier:
- 1701055
- DOI:
- https://doi.org/10.17188/1701055
Citation Formats
The Materials Project. Materials Data on K2Co(SO5)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1701055.
The Materials Project. Materials Data on K2Co(SO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1701055
The Materials Project. 2020.
"Materials Data on K2Co(SO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1701055. https://www.osti.gov/servlets/purl/1701055. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1701055,
title = {Materials Data on K2Co(SO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Co(SO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 3-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.78–3.25 Å. Co is bonded to six O atoms to form CoO6 octahedra that share corners with four equivalent SO4 tetrahedra. There are a spread of Co–O bond distances ranging from 1.75–2.14 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 45–55°. There are a spread of S–O bond distances ranging from 1.46–1.56 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent K and one S atom. In the second O site, O is bonded in a 1-coordinate geometry to two equivalent K, one Co, and one S atom. In the third O site, O is bonded in a bent 120 degrees geometry to one K, one Co, and one S atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent K and one S atom. In the fifth O site, O is bonded in a single-bond geometry to one K and one Co atom.},
doi = {10.17188/1701055},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}