U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sb2(SO4)3 by Materials Project
Abstract
Sb2(SO4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sb3+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six SO4 tetrahedra and an edgeedge with one SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 2.13–2.62 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 33–55°. There is one shorter (1.43 Å) and three longer (1.52 Å) S–O bond length. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 17–35°. There is two shorter (1.47 Å) and two longer (1.51 Å) S–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb3+ and one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the third O2- site, O2- is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-768484
- 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; Sb2(SO4)3; O-S-Sb
- OSTI Identifier:
- 1298434
- DOI:
- https://doi.org/10.17188/1298434
Citation Formats
The Materials Project. Materials Data on Sb2(SO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1298434.
The Materials Project. Materials Data on Sb2(SO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1298434
The Materials Project. 2020.
"Materials Data on Sb2(SO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1298434. https://www.osti.gov/servlets/purl/1298434. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1298434,
title = {Materials Data on Sb2(SO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb2(SO4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sb3+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six SO4 tetrahedra and an edgeedge with one SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 2.13–2.62 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 33–55°. There is one shorter (1.43 Å) and three longer (1.52 Å) S–O bond length. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 17–35°. There is two shorter (1.47 Å) and two longer (1.51 Å) S–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sb3+ and one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Sb3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sb3+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted linear geometry to one Sb3+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Sb3+ and one S6+ atom.},
doi = {10.17188/1298434},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}