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Title: Materials Data on Fe5SnO8 by Materials Project

Abstract

Fe5SnO8 is Spinel-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Fe+2.80+ sites. In the first Fe+2.80+ site, Fe+2.80+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with three equivalent SnO6 octahedra and corners with nine equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 55–57°. There is one shorter (1.91 Å) and three longer (1.95 Å) Fe–O bond length. In the second Fe+2.80+ site, Fe+2.80+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent FeO4 tetrahedra, edges with two equivalent SnO6 octahedra, and edges with four equivalent FeO6 octahedra. There are two shorter (2.15 Å) and four longer (2.17 Å) Fe–O bond lengths. Sn2+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent FeO4 tetrahedra and edges with six equivalent FeO6 octahedra. All Sn–O bond lengths are 2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Fe+2.80+ and one Sn2+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometrymore » to four Fe+2.80+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-690495
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; Fe5SnO8; Fe-O-Sn
OSTI Identifier:
1284499
DOI:
10.17188/1284499

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Fe5SnO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284499.
Persson, Kristin, & Project, Materials. Materials Data on Fe5SnO8 by Materials Project. United States. doi:10.17188/1284499.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Fe5SnO8 by Materials Project". United States. doi:10.17188/1284499. https://www.osti.gov/servlets/purl/1284499. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1284499,
title = {Materials Data on Fe5SnO8 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Fe5SnO8 is Spinel-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Fe+2.80+ sites. In the first Fe+2.80+ site, Fe+2.80+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with three equivalent SnO6 octahedra and corners with nine equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 55–57°. There is one shorter (1.91 Å) and three longer (1.95 Å) Fe–O bond length. In the second Fe+2.80+ site, Fe+2.80+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent FeO4 tetrahedra, edges with two equivalent SnO6 octahedra, and edges with four equivalent FeO6 octahedra. There are two shorter (2.15 Å) and four longer (2.17 Å) Fe–O bond lengths. Sn2+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent FeO4 tetrahedra and edges with six equivalent FeO6 octahedra. All Sn–O bond lengths are 2.11 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to three Fe+2.80+ and one Sn2+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to four Fe+2.80+ atoms.},
doi = {10.17188/1284499},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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