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Title: Materials Data on Co3Se4 by Materials Project

Abstract

Co3Se4 crystallizes in the monoclinic C2/m 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 Se2- atoms to form a mixture of edge, face, and corner-sharing CoSe6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Co–Se bond distances ranging from 2.35–2.49 Å. In the second Co+2.67+ site, Co+2.67+ is bonded to six Se2- atoms to form a mixture of edge, face, and corner-sharing CoSe6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are four shorter (2.44 Å) and two longer (2.45 Å) Co–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to four Co+2.67+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to five Co+2.67+ atoms.

Publication Date:
Other Number(s):
mp-11800
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Co3Se4; Co-Se
OSTI Identifier:
1188388
DOI:
https://doi.org/10.17188/1188388

Citation Formats

The Materials Project. Materials Data on Co3Se4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188388.
The Materials Project. Materials Data on Co3Se4 by Materials Project. United States. doi:https://doi.org/10.17188/1188388
The Materials Project. 2020. "Materials Data on Co3Se4 by Materials Project". United States. doi:https://doi.org/10.17188/1188388. https://www.osti.gov/servlets/purl/1188388. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1188388,
title = {Materials Data on Co3Se4 by Materials Project},
author = {The Materials Project},
abstractNote = {Co3Se4 crystallizes in the monoclinic C2/m 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 Se2- atoms to form a mixture of edge, face, and corner-sharing CoSe6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are a spread of Co–Se bond distances ranging from 2.35–2.49 Å. In the second Co+2.67+ site, Co+2.67+ is bonded to six Se2- atoms to form a mixture of edge, face, and corner-sharing CoSe6 octahedra. The corner-sharing octahedra tilt angles range from 50–54°. There are four shorter (2.44 Å) and two longer (2.45 Å) Co–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted rectangular see-saw-like geometry to four Co+2.67+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to five Co+2.67+ atoms.},
doi = {10.17188/1188388},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}