Materials Data on Rb3BiSe3 by Materials Project
Abstract
Rb3BiSe3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. There are three shorter (3.46 Å) and three longer (3.66 Å) Rb–Se bond lengths. In the second Rb1+ site, Rb1+ is bonded to six equivalent Se2- atoms to form a mixture of face, edge, and corner-sharing RbSe6 octahedra. The corner-sharing octahedra tilt angles range from 35–59°. There are three shorter (3.73 Å) and three longer (3.79 Å) Rb–Se bond lengths. In the third Rb1+ site, Rb1+ is bonded to six equivalent Se2- atoms to form a mixture of distorted face, edge, and corner-sharing RbSe6 octahedra. The corner-sharing octahedra tilt angles range from 35–43°. There are three shorter (3.47 Å) and three longer (3.66 Å) Rb–Se bond lengths. Bi3+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All Bi–Se bond lengths are 2.70 Å. Se2- is bonded to six Rb1+ and one Bi3+ atom to form a mixture of distorted face, edge, and corner-sharing SeRb6Bi pentagonal bipyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-29168
- 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; Rb3BiSe3; Bi-Rb-Se
- OSTI Identifier:
- 1203458
- DOI:
- https://doi.org/10.17188/1203458
Citation Formats
The Materials Project. Materials Data on Rb3BiSe3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203458.
The Materials Project. Materials Data on Rb3BiSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1203458
The Materials Project. 2020.
"Materials Data on Rb3BiSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1203458. https://www.osti.gov/servlets/purl/1203458. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1203458,
title = {Materials Data on Rb3BiSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb3BiSe3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. There are three shorter (3.46 Å) and three longer (3.66 Å) Rb–Se bond lengths. In the second Rb1+ site, Rb1+ is bonded to six equivalent Se2- atoms to form a mixture of face, edge, and corner-sharing RbSe6 octahedra. The corner-sharing octahedra tilt angles range from 35–59°. There are three shorter (3.73 Å) and three longer (3.79 Å) Rb–Se bond lengths. In the third Rb1+ site, Rb1+ is bonded to six equivalent Se2- atoms to form a mixture of distorted face, edge, and corner-sharing RbSe6 octahedra. The corner-sharing octahedra tilt angles range from 35–43°. There are three shorter (3.47 Å) and three longer (3.66 Å) Rb–Se bond lengths. Bi3+ is bonded in a trigonal non-coplanar geometry to three equivalent Se2- atoms. All Bi–Se bond lengths are 2.70 Å. Se2- is bonded to six Rb1+ and one Bi3+ atom to form a mixture of distorted face, edge, and corner-sharing SeRb6Bi pentagonal bipyramids.},
doi = {10.17188/1203458},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}