U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb5(DyI4)3 by Materials Project
Abstract
Rb5(DyI4)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to six equivalent I atoms to form distorted RbI6 pentagonal pyramids that share corners with six equivalent DyI6 octahedra and faces with two equivalent RbI6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 69°. All Rb–I bond lengths are 3.76 Å. In the second Rb site, Rb is bonded in a 7-coordinate geometry to seven I atoms. There are a spread of Rb–I bond distances ranging from 3.68–3.93 Å. Dy is bonded to six I atoms to form DyI6 octahedra that share corners with four equivalent RbI6 pentagonal pyramids and edges with two equivalent DyI6 octahedra. There are a spread of Dy–I bond distances ranging from 3.09–3.13 Å. There are three inequivalent I sites. In the first I site, I is bonded to two equivalent Rb and two equivalent Dy atoms to form distorted corner-sharing IRb2Dy2 trigonal pyramids. In the second I site, I is bonded in a 3-coordinate geometry to one Rb and two equivalent Dy atoms. In the third I site, I is bonded in a 5-coordinate geometry to four Rb andmore »
- Publication Date:
- Other Number(s):
- mp-1209369
- 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; Dy-I-Rb; Rb5(DyI4)3; crystal structure
- OSTI Identifier:
- 1696322
- DOI:
- https://doi.org/10.17188/1696322
Citation Formats
Materials Data on Rb5(DyI4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1696322.
Materials Data on Rb5(DyI4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1696322
2020.
"Materials Data on Rb5(DyI4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1696322. https://www.osti.gov/servlets/purl/1696322. Pub date:Fri May 01 04:00:00 UTC 2020
@article{osti_1696322,
title = {Materials Data on Rb5(DyI4)3 by Materials Project},
abstractNote = {Rb5(DyI4)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded to six equivalent I atoms to form distorted RbI6 pentagonal pyramids that share corners with six equivalent DyI6 octahedra and faces with two equivalent RbI6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 69°. All Rb–I bond lengths are 3.76 Å. In the second Rb site, Rb is bonded in a 7-coordinate geometry to seven I atoms. There are a spread of Rb–I bond distances ranging from 3.68–3.93 Å. Dy is bonded to six I atoms to form DyI6 octahedra that share corners with four equivalent RbI6 pentagonal pyramids and edges with two equivalent DyI6 octahedra. There are a spread of Dy–I bond distances ranging from 3.09–3.13 Å. There are three inequivalent I sites. In the first I site, I is bonded to two equivalent Rb and two equivalent Dy atoms to form distorted corner-sharing IRb2Dy2 trigonal pyramids. In the second I site, I is bonded in a 3-coordinate geometry to one Rb and two equivalent Dy atoms. In the third I site, I is bonded in a 5-coordinate geometry to four Rb and one Dy atom.},
doi = {10.17188/1696322},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri May 01 04:00:00 UTC 2020},
month = {Fri May 01 04:00:00 UTC 2020}
}