Materials Data on Er2SO2 by Materials Project
Abstract
Er2O2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Er3+ is bonded in a 7-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Er–S bond lengths are 2.86 Å. There are three shorter (2.25 Å) and one longer (2.28 Å) Er–O bond lengths. S2- is bonded to six equivalent Er3+ atoms to form distorted SEr6 octahedra that share corners with twelve equivalent OEr4 tetrahedra, edges with six equivalent SEr6 octahedra, and edges with six equivalent OEr4 tetrahedra. O2- is bonded to four equivalent Er3+ atoms to form OEr4 tetrahedra that share corners with six equivalent SEr6 octahedra, corners with six equivalent OEr4 tetrahedra, edges with three equivalent SEr6 octahedra, and edges with three equivalent OEr4 tetrahedra. The corner-sharing octahedra tilt angles range from 26–50°.
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1183327
- Report Number(s):
- mp-12671
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; Er2SO2; Er-O-S
Citation Formats
The Materials Project. Materials Data on Er2SO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1183327.
The Materials Project. Materials Data on Er2SO2 by Materials Project. United States. https://doi.org/10.17188/1183327
The Materials Project. 2020.
"Materials Data on Er2SO2 by Materials Project". United States. https://doi.org/10.17188/1183327. https://www.osti.gov/servlets/purl/1183327.
@article{osti_1183327,
title = {Materials Data on Er2SO2 by Materials Project},
author = {The Materials Project},
abstractNote = {Er2O2S crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Er3+ is bonded in a 7-coordinate geometry to three equivalent S2- and four equivalent O2- atoms. All Er–S bond lengths are 2.86 Å. There are three shorter (2.25 Å) and one longer (2.28 Å) Er–O bond lengths. S2- is bonded to six equivalent Er3+ atoms to form distorted SEr6 octahedra that share corners with twelve equivalent OEr4 tetrahedra, edges with six equivalent SEr6 octahedra, and edges with six equivalent OEr4 tetrahedra. O2- is bonded to four equivalent Er3+ atoms to form OEr4 tetrahedra that share corners with six equivalent SEr6 octahedra, corners with six equivalent OEr4 tetrahedra, edges with three equivalent SEr6 octahedra, and edges with three equivalent OEr4 tetrahedra. The corner-sharing octahedra tilt angles range from 26–50°.},
doi = {10.17188/1183327},
url = {https://www.osti.gov/biblio/1183327},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}