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Title: Materials Data on K6ZnBi5 by Materials Project

Abstract

K6ZnBi5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a 1-coordinate geometry to two equivalent Zn and five Bi atoms. Both K–Zn bond lengths are 3.69 Å. There are a spread of K–Bi bond distances ranging from 3.64–3.90 Å. In the second K site, K is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of K–Bi bond distances ranging from 3.73–4.06 Å. In the third K site, K is bonded in a 6-coordinate geometry to six Bi atoms. There are two shorter (3.63 Å) and four longer (3.89 Å) K–Bi bond lengths. In the fourth K site, K is bonded in a 10-coordinate geometry to two equivalent Zn and eight Bi atoms. Both K–Zn bond lengths are 3.76 Å. There are four shorter (3.72 Å) and four longer (3.77 Å) K–Bi bond lengths. Zn is bonded in a distorted trigonal planar geometry to six K and three Bi atoms. There are two shorter (2.73 Å) and one longer (2.74 Å) Zn–Bi bond lengths. There are three inequivalent Bi sites. In the first Bi site, Bi is bondedmore » in a 9-coordinate geometry to seven K, one Zn, and one Bi atom. The Bi–Bi bond length is 2.99 Å. In the second Bi site, Bi is bonded in a 9-coordinate geometry to seven K and two Bi atoms. The Bi–Bi bond length is 3.03 Å. In the third Bi site, Bi is bonded in a 9-coordinate geometry to eight K and one Zn atom.« less

Publication Date:
Other Number(s):
mp-1190467
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; K6ZnBi5; Bi-K-Zn
OSTI Identifier:
1680611
DOI:
https://doi.org/10.17188/1680611

Citation Formats

The Materials Project. Materials Data on K6ZnBi5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1680611.
The Materials Project. Materials Data on K6ZnBi5 by Materials Project. United States. doi:https://doi.org/10.17188/1680611
The Materials Project. 2019. "Materials Data on K6ZnBi5 by Materials Project". United States. doi:https://doi.org/10.17188/1680611. https://www.osti.gov/servlets/purl/1680611. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1680611,
title = {Materials Data on K6ZnBi5 by Materials Project},
author = {The Materials Project},
abstractNote = {K6ZnBi5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a 1-coordinate geometry to two equivalent Zn and five Bi atoms. Both K–Zn bond lengths are 3.69 Å. There are a spread of K–Bi bond distances ranging from 3.64–3.90 Å. In the second K site, K is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of K–Bi bond distances ranging from 3.73–4.06 Å. In the third K site, K is bonded in a 6-coordinate geometry to six Bi atoms. There are two shorter (3.63 Å) and four longer (3.89 Å) K–Bi bond lengths. In the fourth K site, K is bonded in a 10-coordinate geometry to two equivalent Zn and eight Bi atoms. Both K–Zn bond lengths are 3.76 Å. There are four shorter (3.72 Å) and four longer (3.77 Å) K–Bi bond lengths. Zn is bonded in a distorted trigonal planar geometry to six K and three Bi atoms. There are two shorter (2.73 Å) and one longer (2.74 Å) Zn–Bi bond lengths. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to seven K, one Zn, and one Bi atom. The Bi–Bi bond length is 2.99 Å. In the second Bi site, Bi is bonded in a 9-coordinate geometry to seven K and two Bi atoms. The Bi–Bi bond length is 3.03 Å. In the third Bi site, Bi is bonded in a 9-coordinate geometry to eight K and one Zn atom.},
doi = {10.17188/1680611},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}