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Title: Materials Data on Cs2CoSiO4 by Materials Project

Abstract

Cs2CoSiO4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.03–3.50 Å. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.12–3.24 Å. Co2+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with two equivalent SiO4 tetrahedra and an edgeedge with one SiO4 tetrahedra. There is two shorter (1.94 Å) and two longer (2.05 Å) Co–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent CoO4 tetrahedra and an edgeedge with one CoO4 tetrahedra. There is two shorter (1.65 Å) and two longer (1.67 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Cs1+, one Co2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four Cs1+, one Co2+, and onemore » Si4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Cs1+, one Co2+, and one Si4+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-542168
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; Cs2CoSiO4; Co-Cs-O-Si
OSTI Identifier:
1266442
DOI:
10.17188/1266442

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Cs2CoSiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266442.
Persson, Kristin, & Project, Materials. Materials Data on Cs2CoSiO4 by Materials Project. United States. doi:10.17188/1266442.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Cs2CoSiO4 by Materials Project". United States. doi:10.17188/1266442. https://www.osti.gov/servlets/purl/1266442. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1266442,
title = {Materials Data on Cs2CoSiO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cs2CoSiO4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.03–3.50 Å. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cs–O bond distances ranging from 3.12–3.24 Å. Co2+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with two equivalent SiO4 tetrahedra and an edgeedge with one SiO4 tetrahedra. There is two shorter (1.94 Å) and two longer (2.05 Å) Co–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent CoO4 tetrahedra and an edgeedge with one CoO4 tetrahedra. There is two shorter (1.65 Å) and two longer (1.67 Å) Si–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Cs1+, one Co2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four Cs1+, one Co2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Cs1+, one Co2+, and one Si4+ atom.},
doi = {10.17188/1266442},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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