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Title: Materials Data on K5Sb4 by Materials Project

Abstract

K5Sb4 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Sb+1.25- atoms. There are a spread of K–Sb bond distances ranging from 3.69–3.78 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Sb+1.25- atoms. There are a spread of K–Sb bond distances ranging from 3.69–3.78 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six Sb+1.25- atoms. There are five shorter (3.75 Å) and one longer (3.79 Å) K–Sb bond lengths. In the fourth K1+ site, K1+ is bonded in a 6-coordinate geometry to six Sb+1.25- atoms. There are a spread of K–Sb bond distances ranging from 3.69–3.84 Å. In the fifth K1+ site, K1+ is bonded in a square co-planar geometry to four Sb+1.25- atoms. There are two shorter (3.58 Å) and two longer (3.59 Å) K–Sb bond lengths. There are four inequivalent Sb+1.25- sites. In the first Sb+1.25- site, Sb+1.25- is bonded in a 9-coordinate geometry to eight K1+ and one Sb+1.25- atom. The Sb–Sb bond length is 2.83 Å. In the second Sb+1.25- site,more » Sb+1.25- is bonded in a 9-coordinate geometry to eight K1+ and one Sb+1.25- atom. The Sb–Sb bond length is 2.83 Å. In the third Sb+1.25- site, Sb+1.25- is bonded in a 9-coordinate geometry to seven K1+ and two Sb+1.25- atoms. The Sb–Sb bond length is 2.87 Å. In the fourth Sb+1.25- site, Sb+1.25- is bonded in a 9-coordinate geometry to seven K1+ and two Sb+1.25- atoms.« less

Publication Date:
Other Number(s):
mp-1223714
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; K5Sb4; K-Sb
OSTI Identifier:
1752650
DOI:
https://doi.org/10.17188/1752650

Citation Formats

The Materials Project. Materials Data on K5Sb4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752650.
The Materials Project. Materials Data on K5Sb4 by Materials Project. United States. doi:https://doi.org/10.17188/1752650
The Materials Project. 2020. "Materials Data on K5Sb4 by Materials Project". United States. doi:https://doi.org/10.17188/1752650. https://www.osti.gov/servlets/purl/1752650. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1752650,
title = {Materials Data on K5Sb4 by Materials Project},
author = {The Materials Project},
abstractNote = {K5Sb4 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Sb+1.25- atoms. There are a spread of K–Sb bond distances ranging from 3.69–3.78 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Sb+1.25- atoms. There are a spread of K–Sb bond distances ranging from 3.69–3.78 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six Sb+1.25- atoms. There are five shorter (3.75 Å) and one longer (3.79 Å) K–Sb bond lengths. In the fourth K1+ site, K1+ is bonded in a 6-coordinate geometry to six Sb+1.25- atoms. There are a spread of K–Sb bond distances ranging from 3.69–3.84 Å. In the fifth K1+ site, K1+ is bonded in a square co-planar geometry to four Sb+1.25- atoms. There are two shorter (3.58 Å) and two longer (3.59 Å) K–Sb bond lengths. There are four inequivalent Sb+1.25- sites. In the first Sb+1.25- site, Sb+1.25- is bonded in a 9-coordinate geometry to eight K1+ and one Sb+1.25- atom. The Sb–Sb bond length is 2.83 Å. In the second Sb+1.25- site, Sb+1.25- is bonded in a 9-coordinate geometry to eight K1+ and one Sb+1.25- atom. The Sb–Sb bond length is 2.83 Å. In the third Sb+1.25- site, Sb+1.25- is bonded in a 9-coordinate geometry to seven K1+ and two Sb+1.25- atoms. The Sb–Sb bond length is 2.87 Å. In the fourth Sb+1.25- site, Sb+1.25- is bonded in a 9-coordinate geometry to seven K1+ and two Sb+1.25- atoms.},
doi = {10.17188/1752650},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}