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Title: Materials Data on Sb3O8 by Materials Project

Abstract

Sb3O8 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are five inequivalent Sb sites. In the first Sb site, Sb is bonded to six O atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 47–48°. There are a spread of Sb–O bond distances ranging from 1.95–2.17 Å. In the second Sb site, Sb is bonded to six O atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 40–52°. There are a spread of Sb–O bond distances ranging from 1.96–2.12 Å. In the third Sb site, Sb is bonded to six O atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 44–51°. There are a spread of Sb–O bond distances ranging from 1.95–2.16 Å. In the fourth Sb site, Sb is bonded to six O atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 40–52°. There are a spread of Sb–O bond distances ranging from 1.97–2.13 Å. In the fifth Sb site, Sb is bonded to six O atoms to formmore » a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 44–51°. There are a spread of Sb–O bond distances ranging from 1.95–2.17 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two Sb atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two Sb atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two Sb atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two Sb atoms. In the fifth O site, O is bonded in a distorted trigonal planar geometry to three Sb atoms. In the sixth O site, O is bonded in a bent 120 degrees geometry to two Sb atoms. In the seventh O site, O is bonded in a water-like geometry to two Sb atoms. In the eighth O site, O is bonded in a distorted trigonal planar geometry to three Sb atoms. In the ninth O site, O is bonded in a distorted trigonal planar geometry to three Sb atoms. In the tenth O site, O is bonded in a bent 150 degrees geometry to two Sb atoms. In the eleventh O site, O is bonded in a water-like geometry to two Sb atoms. In the twelfth O site, O is bonded in a water-like geometry to two Sb atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1197211
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sb3O8; O-Sb
OSTI Identifier:
1687332
DOI:
https://doi.org/10.17188/1687332

Citation Formats

The Materials Project. Materials Data on Sb3O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1687332.
The Materials Project. Materials Data on Sb3O8 by Materials Project. United States. doi:https://doi.org/10.17188/1687332
The Materials Project. 2020. "Materials Data on Sb3O8 by Materials Project". United States. doi:https://doi.org/10.17188/1687332. https://www.osti.gov/servlets/purl/1687332. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1687332,
title = {Materials Data on Sb3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb3O8 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are five inequivalent Sb sites. In the first Sb site, Sb is bonded to six O atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 47–48°. There are a spread of Sb–O bond distances ranging from 1.95–2.17 Å. In the second Sb site, Sb is bonded to six O atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 40–52°. There are a spread of Sb–O bond distances ranging from 1.96–2.12 Å. In the third Sb site, Sb is bonded to six O atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 44–51°. There are a spread of Sb–O bond distances ranging from 1.95–2.16 Å. In the fourth Sb site, Sb is bonded to six O atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 40–52°. There are a spread of Sb–O bond distances ranging from 1.97–2.13 Å. In the fifth Sb site, Sb is bonded to six O atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 44–51°. There are a spread of Sb–O bond distances ranging from 1.95–2.17 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two Sb atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two Sb atoms. In the third O site, O is bonded in a bent 150 degrees geometry to two Sb atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two Sb atoms. In the fifth O site, O is bonded in a distorted trigonal planar geometry to three Sb atoms. In the sixth O site, O is bonded in a bent 120 degrees geometry to two Sb atoms. In the seventh O site, O is bonded in a water-like geometry to two Sb atoms. In the eighth O site, O is bonded in a distorted trigonal planar geometry to three Sb atoms. In the ninth O site, O is bonded in a distorted trigonal planar geometry to three Sb atoms. In the tenth O site, O is bonded in a bent 150 degrees geometry to two Sb atoms. In the eleventh O site, O is bonded in a water-like geometry to two Sb atoms. In the twelfth O site, O is bonded in a water-like geometry to two Sb atoms.},
doi = {10.17188/1687332},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}