U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2Co2(SeO3)3 by Materials Project
Abstract
K2Co2(SeO3)3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.81–3.04 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.95–2.98 Å. There are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to six O2- atoms to form face-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.09–2.21 Å. In the second Co3+ site, Co3+ is bonded to six O2- atoms to form face-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.05–2.22 Å. There are three inequivalent Se+3.33+ sites. In the first Se+3.33+ site, Se+3.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Se–O bond lengths are 1.74 Å. In the second Se+3.33+ site, Se+3.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Se–O bond lengths are 1.74 Å. In the third Se+3.33+ site, Se+3.33+ is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1223719
- 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; K2Co2(SeO3)3; Co-K-O-Se
- OSTI Identifier:
- 1759829
- DOI:
- https://doi.org/10.17188/1759829
Citation Formats
The Materials Project. Materials Data on K2Co2(SeO3)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1759829.
The Materials Project. Materials Data on K2Co2(SeO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1759829
The Materials Project. 2020.
"Materials Data on K2Co2(SeO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1759829. https://www.osti.gov/servlets/purl/1759829. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759829,
title = {Materials Data on K2Co2(SeO3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Co2(SeO3)3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.81–3.04 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.95–2.98 Å. There are two inequivalent Co3+ sites. In the first Co3+ site, Co3+ is bonded to six O2- atoms to form face-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.09–2.21 Å. In the second Co3+ site, Co3+ is bonded to six O2- atoms to form face-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.05–2.22 Å. There are three inequivalent Se+3.33+ sites. In the first Se+3.33+ site, Se+3.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Se–O bond lengths are 1.74 Å. In the second Se+3.33+ site, Se+3.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Se–O bond lengths are 1.74 Å. In the third Se+3.33+ site, Se+3.33+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.73 Å) and two longer (1.74 Å) Se–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three K1+, one Co3+, and one Se+3.33+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two Co3+ and one Se+3.33+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to two Co3+ and one Se+3.33+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to three K1+, one Co3+, and one Se+3.33+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to three K1+, one Co3+, and one Se+3.33+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three K1+, one Co3+, and one Se+3.33+ atom.},
doi = {10.17188/1759829},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Sep 03 00:00:00 EDT 2020},
month = {Thu Sep 03 00:00:00 EDT 2020}
}