U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er2(SO4)3 by Materials Project
Abstract
Er2(SO4)3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Er3+ is bonded to six O2- atoms to form ErO6 octahedra that share corners with six SO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.20–2.24 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 ErO6 octahedra. The corner-sharing octahedra tilt angles range from 6–33°. All S–O bond lengths are 1.48 Å. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent ErO6 octahedra. The corner-sharing octahedra tilt angles range from 15–26°. All S–O bond lengths are 1.48 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Er3+ and one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one S6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one S6+ atom. In the fourth O2- site, O2- ismore »
- Publication Date:
- Other Number(s):
- mp-9841
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Er-O-S; Er2(SO4)3; crystal structure
- OSTI Identifier:
- 1316550
- DOI:
- https://doi.org/10.17188/1316550
Citation Formats
Materials Data on Er2(SO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316550.
Materials Data on Er2(SO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1316550
2020.
"Materials Data on Er2(SO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1316550. https://www.osti.gov/servlets/purl/1316550. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1316550,
title = {Materials Data on Er2(SO4)3 by Materials Project},
abstractNote = {Er2(SO4)3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Er3+ is bonded to six O2- atoms to form ErO6 octahedra that share corners with six SO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.20–2.24 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 ErO6 octahedra. The corner-sharing octahedra tilt angles range from 6–33°. All S–O bond lengths are 1.48 Å. In the second S6+ site, S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four equivalent ErO6 octahedra. The corner-sharing octahedra tilt angles range from 15–26°. All S–O bond lengths are 1.48 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Er3+ and one S6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one S6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one Er3+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one S6+ atom.},
doi = {10.17188/1316550},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}