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Title: Materials Data on Sb(SO4)2 by Materials Project

Abstract

Sb(SO4)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Sb is bonded to six O atoms to form SbO6 octahedra that share corners with six SO4 tetrahedra. There are a spread of Sb–O bond distances ranging from 2.14–2.20 Å. There are two inequivalent S sites. In the first S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with three equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 43–50°. There are a spread of S–O bond distances ranging from 1.43–1.53 Å. In the second S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with three equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°. There are a spread of S–O bond distances ranging from 1.43–1.53 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Sb and one S atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Sb and one S atom. In the third O site, O is bonded in a distorted bent 150 degreesmore » geometry to one Sb and one S atom. In the fourth O site, O is bonded in a single-bond geometry to one S atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Sb and one S atom. In the sixth O site, O is bonded in a single-bond geometry to one S atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one Sb and one S atom. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one Sb and one S atom.« less

Publication Date:
Other Number(s):
mp-760060
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; Sb(SO4)2; O-S-Sb
OSTI Identifier:
1291562
DOI:
https://doi.org/10.17188/1291562

Citation Formats

The Materials Project. Materials Data on Sb(SO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291562.
The Materials Project. Materials Data on Sb(SO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1291562
The Materials Project. 2020. "Materials Data on Sb(SO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1291562. https://www.osti.gov/servlets/purl/1291562. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1291562,
title = {Materials Data on Sb(SO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb(SO4)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Sb is bonded to six O atoms to form SbO6 octahedra that share corners with six SO4 tetrahedra. There are a spread of Sb–O bond distances ranging from 2.14–2.20 Å. There are two inequivalent S sites. In the first S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with three equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 43–50°. There are a spread of S–O bond distances ranging from 1.43–1.53 Å. In the second S site, S is bonded to four O atoms to form SO4 tetrahedra that share corners with three equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 48–50°. There are a spread of S–O bond distances ranging from 1.43–1.53 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Sb and one S atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Sb and one S atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Sb and one S atom. In the fourth O site, O is bonded in a single-bond geometry to one S atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Sb and one S atom. In the sixth O site, O is bonded in a single-bond geometry to one S atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one Sb and one S atom. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one Sb and one S atom.},
doi = {10.17188/1291562},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}