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Title: Materials Data on Be3Fe4Si3SO12 by Materials Project

Abstract

Be3Fe4Si3SO12 crystallizes in the cubic P-43n space group. The structure is three-dimensional. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with four equivalent FeSO3 tetrahedra and corners with four equivalent SiO4 tetrahedra. All Be–O bond lengths are 1.64 Å. Fe2+ is bonded to one S2- and three equivalent O2- atoms to form distorted FeSO3 tetrahedra that share corners with three equivalent BeO4 tetrahedra, corners with three equivalent FeSO3 tetrahedra, and corners with three equivalent SiO4 tetrahedra. The Fe–S bond length is 2.39 Å. All Fe–O bond lengths are 2.05 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra and corners with four equivalent FeSO3 tetrahedra. All Si–O bond lengths are 1.65 Å. S2- is bonded in a tetrahedral geometry to four equivalent Fe2+ atoms. O2- is bonded in a trigonal planar geometry to one Be2+, one Fe2+, and one Si4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-19309
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; Be3Fe4Si3SO12; Be-Fe-O-S-Si
OSTI Identifier:
1194197
DOI:
10.17188/1194197

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Be3Fe4Si3SO12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1194197.
Persson, Kristin, & Project, Materials. Materials Data on Be3Fe4Si3SO12 by Materials Project. United States. doi:10.17188/1194197.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Be3Fe4Si3SO12 by Materials Project". United States. doi:10.17188/1194197. https://www.osti.gov/servlets/purl/1194197. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1194197,
title = {Materials Data on Be3Fe4Si3SO12 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Be3Fe4Si3SO12 crystallizes in the cubic P-43n space group. The structure is three-dimensional. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with four equivalent FeSO3 tetrahedra and corners with four equivalent SiO4 tetrahedra. All Be–O bond lengths are 1.64 Å. Fe2+ is bonded to one S2- and three equivalent O2- atoms to form distorted FeSO3 tetrahedra that share corners with three equivalent BeO4 tetrahedra, corners with three equivalent FeSO3 tetrahedra, and corners with three equivalent SiO4 tetrahedra. The Fe–S bond length is 2.39 Å. All Fe–O bond lengths are 2.05 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent BeO4 tetrahedra and corners with four equivalent FeSO3 tetrahedra. All Si–O bond lengths are 1.65 Å. S2- is bonded in a tetrahedral geometry to four equivalent Fe2+ atoms. O2- is bonded in a trigonal planar geometry to one Be2+, one Fe2+, and one Si4+ atom.},
doi = {10.17188/1194197},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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