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Title: Materials Data on SbO2 by Materials Project

Abstract

SbO2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is two-dimensional and consists of two SbO2 sheets oriented in the (0, 0, 1) direction. there are four inequivalent Sb sites. In the first Sb site, Sb is bonded to five O atoms to form distorted SbO5 square pyramids that share corners with two equivalent SbO6 octahedra and edges with four SbO5 square pyramids. The corner-sharing octahedral tilt angles are 48°. There are a spread of Sb–O bond distances ranging from 2.07–2.28 Å. In the second Sb site, Sb is bonded to five O atoms to form distorted SbO5 square pyramids that share corners with two equivalent SbO6 octahedra and edges with four SbO5 square pyramids. The corner-sharing octahedral tilt angles are 48°. There are a spread of Sb–O bond distances ranging from 2.08–2.28 Å. In the third Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share corners with two equivalent SbO5 square pyramids and edges with four SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.95–2.17 Å. In the fourth Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share corners with two equivalentmore » SbO5 square pyramids and edges with four SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.95–2.17 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three Sb atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three Sb atoms. In the third O site, O is bonded in a 3-coordinate geometry to three Sb atoms. In the fourth O site, O is bonded in a 3-coordinate geometry to three Sb atoms. In the fifth O site, O is bonded in a trigonal non-coplanar geometry to three Sb atoms. In the sixth O site, O is bonded in a trigonal non-coplanar geometry to three Sb atoms. In the seventh O site, O is bonded in a water-like geometry to two equivalent Sb atoms. In the eighth O site, O is bonded in a water-like geometry to two equivalent Sb atoms.« less

Authors:
Publication Date:
Other Number(s):
mvc-5746
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; SbO2; O-Sb
OSTI Identifier:
1321512
DOI:
https://doi.org/10.17188/1321512

Citation Formats

The Materials Project. Materials Data on SbO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1321512.
The Materials Project. Materials Data on SbO2 by Materials Project. United States. doi:https://doi.org/10.17188/1321512
The Materials Project. 2020. "Materials Data on SbO2 by Materials Project". United States. doi:https://doi.org/10.17188/1321512. https://www.osti.gov/servlets/purl/1321512. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1321512,
title = {Materials Data on SbO2 by Materials Project},
author = {The Materials Project},
abstractNote = {SbO2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is two-dimensional and consists of two SbO2 sheets oriented in the (0, 0, 1) direction. there are four inequivalent Sb sites. In the first Sb site, Sb is bonded to five O atoms to form distorted SbO5 square pyramids that share corners with two equivalent SbO6 octahedra and edges with four SbO5 square pyramids. The corner-sharing octahedral tilt angles are 48°. There are a spread of Sb–O bond distances ranging from 2.07–2.28 Å. In the second Sb site, Sb is bonded to five O atoms to form distorted SbO5 square pyramids that share corners with two equivalent SbO6 octahedra and edges with four SbO5 square pyramids. The corner-sharing octahedral tilt angles are 48°. There are a spread of Sb–O bond distances ranging from 2.08–2.28 Å. In the third Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share corners with two equivalent SbO5 square pyramids and edges with four SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.95–2.17 Å. In the fourth Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share corners with two equivalent SbO5 square pyramids and edges with four SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.95–2.17 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three Sb atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three Sb atoms. In the third O site, O is bonded in a 3-coordinate geometry to three Sb atoms. In the fourth O site, O is bonded in a 3-coordinate geometry to three Sb atoms. In the fifth O site, O is bonded in a trigonal non-coplanar geometry to three Sb atoms. In the sixth O site, O is bonded in a trigonal non-coplanar geometry to three Sb atoms. In the seventh O site, O is bonded in a water-like geometry to two equivalent Sb atoms. In the eighth O site, O is bonded in a water-like geometry to two equivalent Sb atoms.},
doi = {10.17188/1321512},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}