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Title: Materials Data on K3SnSb3 by Materials Project

Abstract

K3SnSb3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted octahedral geometry to two equivalent K1+ and four Sb+2.33- atoms. Both K–K bond lengths are 3.30 Å. There are two shorter (4.04 Å) and two longer (4.09 Å) K–Sb bond lengths. In the second K1+ site, K1+ is bonded in a distorted square co-planar geometry to two equivalent K1+ and two equivalent Sb+2.33- atoms. Both K–K bond lengths are 3.35 Å. Both K–Sb bond lengths are 4.07 Å. In the third K1+ site, K1+ is bonded in a 1-coordinate geometry to one K1+ and four Sb+2.33- atoms. There are a spread of K–Sb bond distances ranging from 2.84–3.96 Å. In the fourth K1+ site, K1+ is bonded in a 1-coordinate geometry to one K1+, one Sn4+, and three equivalent Sb+2.33- atoms. The K–Sn bond length is 2.80 Å. There are a spread of K–Sb bond distances ranging from 3.73–4.01 Å. Sn4+ is bonded in a 4-coordinate geometry to one K1+ and three Sb+2.33- atoms. There are a spread of Sn–Sb bond distances ranging from 2.41–3.39 Å. There are three inequivalent Sb+2.33-more » sites. In the first Sb+2.33- site, Sb+2.33- is bonded in a 1-coordinate geometry to two K1+, one Sn4+, and two Sb+2.33- atoms. There are one shorter (2.35 Å) and one longer (3.29 Å) Sb–Sb bond lengths. In the second Sb+2.33- site, Sb+2.33- is bonded in a 6-coordinate geometry to four K1+, one Sn4+, and one Sb+2.33- atom. In the third Sb+2.33- site, Sb+2.33- is bonded in a 6-coordinate geometry to four K1+, one Sn4+, and one Sb+2.33- atom.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1282719
Report Number(s):
mp-675476
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; K3SnSb3; K-Sb-Sn

Citation Formats

The Materials Project. Materials Data on K3SnSb3 by Materials Project. United States: N. p., 2013. Web. doi:10.17188/1282719.
The Materials Project. Materials Data on K3SnSb3 by Materials Project. United States. https://doi.org/10.17188/1282719
The Materials Project. 2013. "Materials Data on K3SnSb3 by Materials Project". United States. https://doi.org/10.17188/1282719. https://www.osti.gov/servlets/purl/1282719.
@article{osti_1282719,
title = {Materials Data on K3SnSb3 by Materials Project},
author = {The Materials Project},
abstractNote = {K3SnSb3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted octahedral geometry to two equivalent K1+ and four Sb+2.33- atoms. Both K–K bond lengths are 3.30 Å. There are two shorter (4.04 Å) and two longer (4.09 Å) K–Sb bond lengths. In the second K1+ site, K1+ is bonded in a distorted square co-planar geometry to two equivalent K1+ and two equivalent Sb+2.33- atoms. Both K–K bond lengths are 3.35 Å. Both K–Sb bond lengths are 4.07 Å. In the third K1+ site, K1+ is bonded in a 1-coordinate geometry to one K1+ and four Sb+2.33- atoms. There are a spread of K–Sb bond distances ranging from 2.84–3.96 Å. In the fourth K1+ site, K1+ is bonded in a 1-coordinate geometry to one K1+, one Sn4+, and three equivalent Sb+2.33- atoms. The K–Sn bond length is 2.80 Å. There are a spread of K–Sb bond distances ranging from 3.73–4.01 Å. Sn4+ is bonded in a 4-coordinate geometry to one K1+ and three Sb+2.33- atoms. There are a spread of Sn–Sb bond distances ranging from 2.41–3.39 Å. There are three inequivalent Sb+2.33- sites. In the first Sb+2.33- site, Sb+2.33- is bonded in a 1-coordinate geometry to two K1+, one Sn4+, and two Sb+2.33- atoms. There are one shorter (2.35 Å) and one longer (3.29 Å) Sb–Sb bond lengths. In the second Sb+2.33- site, Sb+2.33- is bonded in a 6-coordinate geometry to four K1+, one Sn4+, and one Sb+2.33- atom. In the third Sb+2.33- site, Sb+2.33- is bonded in a 6-coordinate geometry to four K1+, one Sn4+, and one Sb+2.33- atom.},
doi = {10.17188/1282719},
url = {https://www.osti.gov/biblio/1282719}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Nov 11 00:00:00 EST 2013},
month = {Mon Nov 11 00:00:00 EST 2013}
}