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Title: Materials Data on Co3(SeO3)4 by Materials Project

Abstract

Co3(SeO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Co+2.67+ sites. In the first Co+2.67+ site, Co+2.67+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.89–1.99 Å. In the second Co+2.67+ site, Co+2.67+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.97–2.14 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.79 Å) Se–O bond length. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.71 Å) and one longer (1.76 Å) Se–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Co+2.67+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Co+2.67+ and one Se4+ atom. In the third O2- site, O2- is bondedmore » in a distorted bent 120 degrees geometry to one Co+2.67+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Co+2.67+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Co+2.67+ and one Se4+ atom. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Co+2.67+ and one Se4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-775276
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; Co3(SeO3)4; Co-O-Se
OSTI Identifier:
1302984
DOI:
https://doi.org/10.17188/1302984

Citation Formats

The Materials Project. Materials Data on Co3(SeO3)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1302984.
The Materials Project. Materials Data on Co3(SeO3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1302984
The Materials Project. 2020. "Materials Data on Co3(SeO3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1302984. https://www.osti.gov/servlets/purl/1302984. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1302984,
title = {Materials Data on Co3(SeO3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Co3(SeO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Co+2.67+ sites. In the first Co+2.67+ site, Co+2.67+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.89–1.99 Å. In the second Co+2.67+ site, Co+2.67+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.97–2.14 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.69 Å) and two longer (1.79 Å) Se–O bond length. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.71 Å) and one longer (1.76 Å) Se–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Co+2.67+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Co+2.67+ and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Co+2.67+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Co+2.67+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Co+2.67+ and one Se4+ atom. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Co+2.67+ and one Se4+ atom.},
doi = {10.17188/1302984},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}