U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er2(SeO4)3 by Materials Project
Abstract
Er2(SeO4)3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.25–2.43 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.69–1.78 Å. In the second Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. All Se–O bond lengths are 1.67 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Er3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Er3+ and one Se6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Er3+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Er3+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry tomore »
- Publication Date:
- Other Number(s):
- mp-1225234
- 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-Se; Er2(SeO4)3; crystal structure
- OSTI Identifier:
- 1686029
- DOI:
- https://doi.org/10.17188/1686029
Citation Formats
Materials Data on Er2(SeO4)3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1686029.
Materials Data on Er2(SeO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1686029
2019.
"Materials Data on Er2(SeO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1686029. https://www.osti.gov/servlets/purl/1686029. Pub date:Sun Jan 13 04:00:00 UTC 2019
@article{osti_1686029,
title = {Materials Data on Er2(SeO4)3 by Materials Project},
abstractNote = {Er2(SeO4)3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.25–2.43 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.69–1.78 Å. In the second Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. All Se–O bond lengths are 1.67 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Er3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Er3+ and one Se6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Er3+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Er3+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Er3+ atom.},
doi = {10.17188/1686029},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun Jan 13 04:00:00 UTC 2019},
month = {Sun Jan 13 04:00:00 UTC 2019}
}