U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K30Ga9Sb19 by Materials Project
Abstract
K30Ga9Sb19 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are ten inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six Sb3- atoms. All K–Sb bond lengths are 3.88 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are two shorter (3.75 Å) and three longer (3.76 Å) K–Sb bond lengths. In the third K1+ site, K1+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are a spread of K–Sb bond distances ranging from 3.74–3.76 Å. In the fourth K1+ site, K1+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are two shorter (3.75 Å) and three longer (3.76 Å) K–Sb bond lengths. In the fifth K1+ site, K1+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are a spread of K–Sb bond distances ranging from 3.67–3.74 Å. In the sixth K1+ site, K1+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are a spread of K–Sb bond distances ranging from 3.68–3.75 Å. In the seventh K1+ site, K1+ is bonded in a 5-coordinate geometry to five Sb3-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1225850
- 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; K30Ga9Sb19; Ga-K-Sb
- OSTI Identifier:
- 1672828
- DOI:
- https://doi.org/10.17188/1672828
Citation Formats
The Materials Project. Materials Data on K30Ga9Sb19 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1672828.
The Materials Project. Materials Data on K30Ga9Sb19 by Materials Project. United States. doi:https://doi.org/10.17188/1672828
The Materials Project. 2019.
"Materials Data on K30Ga9Sb19 by Materials Project". United States. doi:https://doi.org/10.17188/1672828. https://www.osti.gov/servlets/purl/1672828. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1672828,
title = {Materials Data on K30Ga9Sb19 by Materials Project},
author = {The Materials Project},
abstractNote = {K30Ga9Sb19 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are ten inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six Sb3- atoms. All K–Sb bond lengths are 3.88 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are two shorter (3.75 Å) and three longer (3.76 Å) K–Sb bond lengths. In the third K1+ site, K1+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are a spread of K–Sb bond distances ranging from 3.74–3.76 Å. In the fourth K1+ site, K1+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are two shorter (3.75 Å) and three longer (3.76 Å) K–Sb bond lengths. In the fifth K1+ site, K1+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are a spread of K–Sb bond distances ranging from 3.67–3.74 Å. In the sixth K1+ site, K1+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are a spread of K–Sb bond distances ranging from 3.68–3.75 Å. In the seventh K1+ site, K1+ is bonded in a 5-coordinate geometry to five Sb3- atoms. There are a spread of K–Sb bond distances ranging from 3.68–3.76 Å. In the eighth K1+ site, K1+ is bonded to four Sb3- atoms to form a mixture of edge and corner-sharing KSb4 tetrahedra. There are a spread of K–Sb bond distances ranging from 3.61–3.74 Å. In the ninth K1+ site, K1+ is bonded to four Sb3- atoms to form a mixture of edge and corner-sharing KSb4 tetrahedra. There are a spread of K–Sb bond distances ranging from 3.61–3.74 Å. In the tenth K1+ site, K1+ is bonded in a trigonal non-coplanar geometry to three Sb3- atoms. There are a spread of K–Sb bond distances ranging from 3.62–3.71 Å. There are three inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three Sb3- atoms. There are a spread of Ga–Sb bond distances ranging from 2.59–2.68 Å. In the second Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three Sb3- atoms. There are a spread of Ga–Sb bond distances ranging from 2.60–2.68 Å. In the third Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three Sb3- atoms. There are a spread of Ga–Sb bond distances ranging from 2.61–2.68 Å. There are seven inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 9-coordinate geometry to eight K1+ and one Ga3+ atom. In the second Sb3- site, Sb3- is bonded in a 9-coordinate geometry to eight K1+ and one Ga3+ atom. In the third Sb3- site, Sb3- is bonded in a 9-coordinate geometry to eight K1+ and one Ga3+ atom. In the fourth Sb3- site, Sb3- is bonded in a 6-coordinate geometry to six equivalent K1+ atoms. In the fifth Sb3- site, Sb3- is bonded in a 9-coordinate geometry to seven K1+ and two Ga3+ atoms. In the sixth Sb3- site, Sb3- is bonded in a 9-coordinate geometry to seven K1+ and two Ga3+ atoms. In the seventh Sb3- site, Sb3- is bonded in a 9-coordinate geometry to seven K1+ and two Ga3+ atoms.},
doi = {10.17188/1672828},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}