U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbEr(WO4)2 by Materials Project
Abstract
RbEr(WO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–3.21 Å. Er3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.22–2.81 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.77–2.39 Å. In the second W6+ site, W6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.76–2.07 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one W6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one Er3+, and two W6+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+, two equivalent Er3+, and one W6+ atom. In the fourth O2- site, O2- ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1209427
- 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; RbEr(WO4)2; Er-O-Rb-W
- OSTI Identifier:
- 1688073
- DOI:
- https://doi.org/10.17188/1688073
Citation Formats
The Materials Project. Materials Data on RbEr(WO4)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1688073.
The Materials Project. Materials Data on RbEr(WO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1688073
The Materials Project. 2019.
"Materials Data on RbEr(WO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1688073. https://www.osti.gov/servlets/purl/1688073. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1688073,
title = {Materials Data on RbEr(WO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {RbEr(WO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–3.21 Å. Er3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.22–2.81 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.77–2.39 Å. In the second W6+ site, W6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.76–2.07 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one W6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one Er3+, and two W6+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+, two equivalent Er3+, and one W6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Er3+ and two W6+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Er3+ and two W6+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and one W6+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one W6+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+, one Er3+, and one W6+ atom.},
doi = {10.17188/1688073},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}