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Title: Materials Data on SbO2 by Materials Project

Abstract

SbO2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Sb sites. In the first Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share a cornercorner with one SbO4 trigonal pyramid and edges with three SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.96–2.17 Å. In the second Sb site, Sb is bonded in a distorted T-shaped geometry to three O atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.06 Å. In the third Sb site, Sb is bonded to six O atoms to form edge-sharing SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.99–2.12 Å. In the fourth Sb site, Sb is bonded in a 3-coordinate geometry to three O atoms. There are two shorter (2.00 Å) and one longer (2.08 Å) Sb–O bond lengths. In the fifth Sb site, Sb is bonded in a distorted T-shaped geometry to three O atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.07 Å. In the sixth Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share a cornercorner with onemore » SbO4 trigonal pyramid and edges with three SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.95–2.17 Å. In the seventh Sb site, Sb is bonded to six O atoms to form edge-sharing SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.97–2.15 Å. In the eighth Sb site, Sb is bonded to six O atoms to form edge-sharing SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.97–2.17 Å. In the ninth Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share corners with two equivalent SbO4 trigonal pyramids and an edgeedge with one SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.96–2.22 Å. In the tenth Sb site, Sb is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.63 Å. In the eleventh Sb site, Sb is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Sb–O bond distances ranging from 2.02–2.69 Å. In the twelfth Sb site, Sb is bonded to four O atoms to form distorted corner-sharing SbO4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 26–68°. There are a spread of Sb–O bond distances ranging from 1.95–2.59 Å. There are twenty-four inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two Sb atoms. In the second O site, O is bonded in a water-like geometry to two Sb atoms. In the third O site, O is bonded in a distorted T-shaped geometry to three Sb atoms. In the fourth O site, O is bonded in a water-like geometry to two Sb atoms. In the fifth O site, O is bonded in a water-like geometry to two Sb atoms. In the sixth O site, O is bonded in a water-like geometry to two Sb atoms. In the seventh O site, O is bonded in a distorted trigonal non-coplanar geometry to three Sb atoms. In the eighth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Sb atoms. In the ninth O site, O is bonded in a water-like geometry to two Sb atoms. In the tenth O site, O is bonded in a water-like geometry to two Sb atoms. In the eleventh O site, O is bonded in a distorted T-shaped geometry to three Sb atoms. In the twelfth O site, O is bonded in a water-like geometry to two Sb atoms. In the thirteenth O site, O is bonded in a 2-coordinate geometry to three Sb atoms. In the fourteenth O site, O is bonded in a water-like geometry to two Sb atoms. In the fifteenth O site, O is bonded in a water-like geometry to two Sb atoms. In the sixteenth O site, O is bonded in a water-like geometry to two Sb atoms. In the seventeenth O site, O is bonded in a distorted water-like geometry to three Sb atoms. In the eighteenth O site, O is bonded in a distorted water-like geometry to three Sb atoms. In the nineteenth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Sb atoms. In the twentieth O site, O is bonded in a distorted T-shaped geometry to three Sb atoms. In the twenty-first O site, O is bonded in a bent 150 degrees geometry to two Sb atoms. In the twenty-second O site, O is bonded in a distorted trigonal planar geometry to three Sb atoms. In the twenty-third O site, O is bonded in a water-like geometry to two Sb atoms. In the twenty-fourth O site, O is bonded in a bent 150 degrees geometry to two Sb atoms.« less

Authors:
Publication Date:
Other Number(s):
mvc-5331
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:
1321352
DOI:
https://doi.org/10.17188/1321352

Citation Formats

The Materials Project. Materials Data on SbO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1321352.
The Materials Project. Materials Data on SbO2 by Materials Project. United States. doi:https://doi.org/10.17188/1321352
The Materials Project. 2020. "Materials Data on SbO2 by Materials Project". United States. doi:https://doi.org/10.17188/1321352. https://www.osti.gov/servlets/purl/1321352. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1321352,
title = {Materials Data on SbO2 by Materials Project},
author = {The Materials Project},
abstractNote = {SbO2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Sb sites. In the first Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share a cornercorner with one SbO4 trigonal pyramid and edges with three SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.96–2.17 Å. In the second Sb site, Sb is bonded in a distorted T-shaped geometry to three O atoms. There are a spread of Sb–O bond distances ranging from 2.01–2.06 Å. In the third Sb site, Sb is bonded to six O atoms to form edge-sharing SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.99–2.12 Å. In the fourth Sb site, Sb is bonded in a 3-coordinate geometry to three O atoms. There are two shorter (2.00 Å) and one longer (2.08 Å) Sb–O bond lengths. In the fifth Sb site, Sb is bonded in a distorted T-shaped geometry to three O atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.07 Å. In the sixth Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share a cornercorner with one SbO4 trigonal pyramid and edges with three SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.95–2.17 Å. In the seventh Sb site, Sb is bonded to six O atoms to form edge-sharing SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.97–2.15 Å. In the eighth Sb site, Sb is bonded to six O atoms to form edge-sharing SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.97–2.17 Å. In the ninth Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share corners with two equivalent SbO4 trigonal pyramids and an edgeedge with one SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.96–2.22 Å. In the tenth Sb site, Sb is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.63 Å. In the eleventh Sb site, Sb is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Sb–O bond distances ranging from 2.02–2.69 Å. In the twelfth Sb site, Sb is bonded to four O atoms to form distorted corner-sharing SbO4 trigonal pyramids. The corner-sharing octahedra tilt angles range from 26–68°. There are a spread of Sb–O bond distances ranging from 1.95–2.59 Å. There are twenty-four inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two Sb atoms. In the second O site, O is bonded in a water-like geometry to two Sb atoms. In the third O site, O is bonded in a distorted T-shaped geometry to three Sb atoms. In the fourth O site, O is bonded in a water-like geometry to two Sb atoms. In the fifth O site, O is bonded in a water-like geometry to two Sb atoms. In the sixth O site, O is bonded in a water-like geometry to two Sb atoms. In the seventh O site, O is bonded in a distorted trigonal non-coplanar geometry to three Sb atoms. In the eighth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Sb atoms. In the ninth O site, O is bonded in a water-like geometry to two Sb atoms. In the tenth O site, O is bonded in a water-like geometry to two Sb atoms. In the eleventh O site, O is bonded in a distorted T-shaped geometry to three Sb atoms. In the twelfth O site, O is bonded in a water-like geometry to two Sb atoms. In the thirteenth O site, O is bonded in a 2-coordinate geometry to three Sb atoms. In the fourteenth O site, O is bonded in a water-like geometry to two Sb atoms. In the fifteenth O site, O is bonded in a water-like geometry to two Sb atoms. In the sixteenth O site, O is bonded in a water-like geometry to two Sb atoms. In the seventeenth O site, O is bonded in a distorted water-like geometry to three Sb atoms. In the eighteenth O site, O is bonded in a distorted water-like geometry to three Sb atoms. In the nineteenth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Sb atoms. In the twentieth O site, O is bonded in a distorted T-shaped geometry to three Sb atoms. In the twenty-first O site, O is bonded in a bent 150 degrees geometry to two Sb atoms. In the twenty-second O site, O is bonded in a distorted trigonal planar geometry to three Sb atoms. In the twenty-third O site, O is bonded in a water-like geometry to two Sb atoms. In the twenty-fourth O site, O is bonded in a bent 150 degrees geometry to two Sb atoms.},
doi = {10.17188/1321352},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}