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Title: Materials Data on Sb2O5 by Materials Project

Abstract

Sb2O5 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded in a 3-coordinate geometry to six O2- atoms. There are three shorter (2.13 Å) and three longer (2.72 Å) Sb–O bond lengths. In the second Sb5+ site, Sb5+ is bonded in a 3-coordinate geometry to six O2- atoms. There are three shorter (2.13 Å) and three longer (2.72 Å) Sb–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to six O2- atoms to form corner-sharing OO6 octahedra. The corner-sharing octahedral tilt angles are 38°. All O–O bond lengths are 2.07 Å. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Sb5+ and two equivalent O2- atoms. In the third O2- site, O2- is bonded to six equivalent Sb5+ atoms to form distorted edge-sharing OSb6 octahedra. In the fourth O2- site, O2- is bonded to six equivalent O2- atoms to form corner-sharing OO6 octahedra. The corner-sharing octahedral tilt angles are 38°. All O–O bond lengths are 2.08 Å. In the fifth O2- site, O2- is bonded in a distortedmore » bent 150 degrees geometry to two equivalent Sb5+ and two O2- atoms. In the sixth O2- site, O2- is bonded to six Sb5+ atoms to form distorted edge-sharing OSb6 octahedra.« less

Publication Date:
Other Number(s):
mp-647533
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; Sb2O5; O-Sb
OSTI Identifier:
1280722
DOI:
https://doi.org/10.17188/1280722

Citation Formats

The Materials Project. Materials Data on Sb2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280722.
The Materials Project. Materials Data on Sb2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1280722
The Materials Project. 2020. "Materials Data on Sb2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1280722. https://www.osti.gov/servlets/purl/1280722. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1280722,
title = {Materials Data on Sb2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb2O5 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded in a 3-coordinate geometry to six O2- atoms. There are three shorter (2.13 Å) and three longer (2.72 Å) Sb–O bond lengths. In the second Sb5+ site, Sb5+ is bonded in a 3-coordinate geometry to six O2- atoms. There are three shorter (2.13 Å) and three longer (2.72 Å) Sb–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to six O2- atoms to form corner-sharing OO6 octahedra. The corner-sharing octahedral tilt angles are 38°. All O–O bond lengths are 2.07 Å. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Sb5+ and two equivalent O2- atoms. In the third O2- site, O2- is bonded to six equivalent Sb5+ atoms to form distorted edge-sharing OSb6 octahedra. In the fourth O2- site, O2- is bonded to six equivalent O2- atoms to form corner-sharing OO6 octahedra. The corner-sharing octahedral tilt angles are 38°. All O–O bond lengths are 2.08 Å. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Sb5+ and two O2- atoms. In the sixth O2- site, O2- is bonded to six Sb5+ atoms to form distorted edge-sharing OSb6 octahedra.},
doi = {10.17188/1280722},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}