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Title: Materials Data on Co3Se4(ClO5)2 by Materials Project

Abstract

Co3Se4(O5Cl)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to four equivalent O2- and two equivalent Cl1- atoms to form edge-sharing CoCl2O4 octahedra. All Co–O bond lengths are 2.11 Å. Both Co–Cl bond lengths are 2.43 Å. In the second Co2+ site, Co2+ is bonded to four O2- and two equivalent Cl1- atoms to form distorted edge-sharing CoCl2O4 octahedra. There are two shorter (2.08 Å) and two longer (2.14 Å) Co–O bond lengths. Both Co–Cl bond lengths are 2.51 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.69–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two Co2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Co2+ and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Se4+ atoms. Cl1- is bonded in a 3-coordinate geometry to three Co2+ atoms.

Publication Date:
Other Number(s):
mp-1105151
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(ClO5)2; Cl-Co-O-Se
OSTI Identifier:
1653033
DOI:
https://doi.org/10.17188/1653033

Citation Formats

The Materials Project. Materials Data on Co3Se4(ClO5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1653033.
The Materials Project. Materials Data on Co3Se4(ClO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1653033
The Materials Project. 2020. "Materials Data on Co3Se4(ClO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1653033. https://www.osti.gov/servlets/purl/1653033. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1653033,
title = {Materials Data on Co3Se4(ClO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Co3Se4(O5Cl)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to four equivalent O2- and two equivalent Cl1- atoms to form edge-sharing CoCl2O4 octahedra. All Co–O bond lengths are 2.11 Å. Both Co–Cl bond lengths are 2.43 Å. In the second Co2+ site, Co2+ is bonded to four O2- and two equivalent Cl1- atoms to form distorted edge-sharing CoCl2O4 octahedra. There are two shorter (2.08 Å) and two longer (2.14 Å) Co–O bond lengths. Both Co–Cl bond lengths are 2.51 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.69–1.83 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two Co2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Co2+ and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Se4+ atoms. Cl1- is bonded in a 3-coordinate geometry to three Co2+ atoms.},
doi = {10.17188/1653033},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}