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Title: Materials Data on Co2SiO4 by Materials Project

Abstract

Co2SiO4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are three inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent CoO6 octahedra, corners with four equivalent SiO4 tetrahedra, and edges with seven CoO6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are a spread of Co–O bond distances ranging from 2.09–2.16 Å. In the second Co2+ site, Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with six CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.05–2.15 Å. In the third Co2+ site, Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with six CoO6 octahedra. There are four shorter (2.10 Å) and two longer (2.13 Å) Co–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with ten CoO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–61°. There are a spread of Si–O bond distancesmore » ranging from 1.65–1.71 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Co2+ and one Si4+ atom. In the second O2- site, O2- is bonded to five Co2+ atoms to form edge-sharing OCo5 square pyramids. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Co2+ and two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Co2+ and one Si4+ atom.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1193719
Report Number(s):
mp-18941
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Co2SiO4; Co-O-Si

Citation Formats

The Materials Project. Materials Data on Co2SiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1193719.
The Materials Project. Materials Data on Co2SiO4 by Materials Project. United States. https://doi.org/10.17188/1193719
The Materials Project. 2020. "Materials Data on Co2SiO4 by Materials Project". United States. https://doi.org/10.17188/1193719. https://www.osti.gov/servlets/purl/1193719.
@article{osti_1193719,
title = {Materials Data on Co2SiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Co2SiO4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are three inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent CoO6 octahedra, corners with four equivalent SiO4 tetrahedra, and edges with seven CoO6 octahedra. The corner-sharing octahedral tilt angles are 14°. There are a spread of Co–O bond distances ranging from 2.09–2.16 Å. In the second Co2+ site, Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with six CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.05–2.15 Å. In the third Co2+ site, Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with six CoO6 octahedra. There are four shorter (2.10 Å) and two longer (2.13 Å) Co–O bond lengths. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with ten CoO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–61°. There are a spread of Si–O bond distances ranging from 1.65–1.71 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Co2+ and one Si4+ atom. In the second O2- site, O2- is bonded to five Co2+ atoms to form edge-sharing OCo5 square pyramids. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Co2+ and two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Co2+ and one Si4+ atom.},
doi = {10.17188/1193719},
url = {https://www.osti.gov/biblio/1193719}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}