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Title: Materials Data on K5SnBi3 by Materials Project

Abstract

K5SnBi3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent K sites. In the first K site, K is bonded to four Bi atoms to form a mixture of distorted edge and corner-sharing KBi4 tetrahedra. There are a spread of K–Bi bond distances ranging from 3.61–3.83 Å. In the second K site, K is bonded in a distorted see-saw-like geometry to four Bi atoms. There are a spread of K–Bi bond distances ranging from 3.62–3.86 Å. In the third K site, K is bonded in a 4-coordinate geometry to one Sn and three Bi atoms. The K–Sn bond length is 3.91 Å. There are a spread of K–Bi bond distances ranging from 3.66–3.79 Å. In the fourth K site, K is bonded to four Bi atoms to form a mixture of distorted edge and corner-sharing KBi4 tetrahedra. There are a spread of K–Bi bond distances ranging from 3.60–3.63 Å. In the fifth K site, K is bonded in a 6-coordinate geometry to two equivalent Sn and four Bi atoms. There are one shorter (3.89 Å) and one longer (3.94 Å) K–Sn bond lengths. There are a spread of K–Bi bond distances ranging from 3.71–4.07more » Å. Sn is bonded in a 7-coordinate geometry to three K and four Bi atoms. There are a spread of Sn–Bi bond distances ranging from 2.96–3.05 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to seven K and one Sn atom. In the second Bi site, Bi is bonded in a 7-coordinate geometry to five K and two equivalent Sn atoms. In the third Bi site, Bi is bonded in a 8-coordinate geometry to seven K and one Sn atom.« less

Authors:
Publication Date:
Other Number(s):
mp-29387
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; K5SnBi3; Bi-K-Sn
OSTI Identifier:
1203763
DOI:
https://doi.org/10.17188/1203763

Citation Formats

The Materials Project. Materials Data on K5SnBi3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203763.
The Materials Project. Materials Data on K5SnBi3 by Materials Project. United States. doi:https://doi.org/10.17188/1203763
The Materials Project. 2020. "Materials Data on K5SnBi3 by Materials Project". United States. doi:https://doi.org/10.17188/1203763. https://www.osti.gov/servlets/purl/1203763. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1203763,
title = {Materials Data on K5SnBi3 by Materials Project},
author = {The Materials Project},
abstractNote = {K5SnBi3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent K sites. In the first K site, K is bonded to four Bi atoms to form a mixture of distorted edge and corner-sharing KBi4 tetrahedra. There are a spread of K–Bi bond distances ranging from 3.61–3.83 Å. In the second K site, K is bonded in a distorted see-saw-like geometry to four Bi atoms. There are a spread of K–Bi bond distances ranging from 3.62–3.86 Å. In the third K site, K is bonded in a 4-coordinate geometry to one Sn and three Bi atoms. The K–Sn bond length is 3.91 Å. There are a spread of K–Bi bond distances ranging from 3.66–3.79 Å. In the fourth K site, K is bonded to four Bi atoms to form a mixture of distorted edge and corner-sharing KBi4 tetrahedra. There are a spread of K–Bi bond distances ranging from 3.60–3.63 Å. In the fifth K site, K is bonded in a 6-coordinate geometry to two equivalent Sn and four Bi atoms. There are one shorter (3.89 Å) and one longer (3.94 Å) K–Sn bond lengths. There are a spread of K–Bi bond distances ranging from 3.71–4.07 Å. Sn is bonded in a 7-coordinate geometry to three K and four Bi atoms. There are a spread of Sn–Bi bond distances ranging from 2.96–3.05 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to seven K and one Sn atom. In the second Bi site, Bi is bonded in a 7-coordinate geometry to five K and two equivalent Sn atoms. In the third Bi site, Bi is bonded in a 8-coordinate geometry to seven K and one Sn atom.},
doi = {10.17188/1203763},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}