U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb4SnSb6 by Materials Project
Abstract
Rb4SnSb6 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are seven inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in an octahedral geometry to six Sb1- atoms. There are three shorter (3.69 Å) and three longer (3.90 Å) Rb–Sb bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to six Sb1- atoms. There are a spread of Rb–Sb bond distances ranging from 3.82–4.07 Å. In the third Rb1+ site, Rb1+ is bonded in a distorted hexagonal planar geometry to six Sb1- atoms. There are a spread of Rb–Sb bond distances ranging from 3.76–4.20 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Sb1- atoms. There are a spread of Rb–Sb bond distances ranging from 3.75–4.03 Å. In the fifth Rb1+ site, Rb1+ is bonded in an octahedral geometry to six equivalent Sb1- atoms. All Rb–Sb bond lengths are 3.97 Å. In the sixth Rb1+ site, Rb1+ is bonded to six equivalent Sb1- atoms to form RbSb6 octahedra that share corners with six equivalent SbRb5SnSb pentagonal bipyramids. All Rb–Sb bond lengths are 3.95 Å. In the seventh Rb1+ site, Rb1+ is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-505490
- 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; Rb4SnSb6; Rb-Sb-Sn
- OSTI Identifier:
- 1262553
- DOI:
- https://doi.org/10.17188/1262553
Citation Formats
The Materials Project. Materials Data on Rb4SnSb6 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1262553.
The Materials Project. Materials Data on Rb4SnSb6 by Materials Project. United States. doi:https://doi.org/10.17188/1262553
The Materials Project. 2017.
"Materials Data on Rb4SnSb6 by Materials Project". United States. doi:https://doi.org/10.17188/1262553. https://www.osti.gov/servlets/purl/1262553. Pub date:Tue May 09 00:00:00 EDT 2017
@article{osti_1262553,
title = {Materials Data on Rb4SnSb6 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb4SnSb6 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are seven inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in an octahedral geometry to six Sb1- atoms. There are three shorter (3.69 Å) and three longer (3.90 Å) Rb–Sb bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to six Sb1- atoms. There are a spread of Rb–Sb bond distances ranging from 3.82–4.07 Å. In the third Rb1+ site, Rb1+ is bonded in a distorted hexagonal planar geometry to six Sb1- atoms. There are a spread of Rb–Sb bond distances ranging from 3.76–4.20 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Sb1- atoms. There are a spread of Rb–Sb bond distances ranging from 3.75–4.03 Å. In the fifth Rb1+ site, Rb1+ is bonded in an octahedral geometry to six equivalent Sb1- atoms. All Rb–Sb bond lengths are 3.97 Å. In the sixth Rb1+ site, Rb1+ is bonded to six equivalent Sb1- atoms to form RbSb6 octahedra that share corners with six equivalent SbRb5SnSb pentagonal bipyramids. All Rb–Sb bond lengths are 3.95 Å. In the seventh Rb1+ site, Rb1+ is bonded in a distorted T-shaped geometry to three equivalent Sb1- atoms. All Rb–Sb bond lengths are 3.79 Å. Sn2+ is bonded in a distorted trigonal non-coplanar geometry to three Sb1- atoms. There are two shorter (2.88 Å) and one longer (2.89 Å) Sn–Sb bond lengths. There are six inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded to five Rb1+, one Sn2+, and one Sb1- atom to form distorted SbRb5SnSb pentagonal bipyramids that share a cornercorner with one RbSb6 octahedra, corners with two equivalent SbRb5SnSb pentagonal bipyramids, and edges with two equivalent SbRb5SnSb pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. The Sb–Sb bond length is 2.79 Å. In the second Sb1- site, Sb1- is bonded in a 6-coordinate geometry to four Rb1+, one Sn2+, and one Sb1- atom. The Sb–Sb bond length is 2.79 Å. In the third Sb1- site, Sb1- is bonded in a 7-coordinate geometry to four Rb1+ and three Sb1- atoms. Both Sb–Sb bond lengths are 2.97 Å. In the fourth Sb1- site, Sb1- is bonded in a 6-coordinate geometry to three Rb1+ and three Sb1- atoms. There are one shorter (2.79 Å) and one longer (2.93 Å) Sb–Sb bond lengths. In the fifth Sb1- site, Sb1- is bonded in a 6-coordinate geometry to three Rb1+ and three Sb1- atoms. In the sixth Sb1- site, Sb1- is bonded in a 6-coordinate geometry to four Rb1+, one Sn2+, and one Sb1- atom.},
doi = {10.17188/1262553},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}