skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on KBi6ClO9 by Materials Project

Abstract

KBi6O9Cl crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. K1+ is bonded in a distorted body-centered cubic geometry to six equivalent O2- and two equivalent Cl1- atoms. All K–O bond lengths are 2.85 Å. Both K–Cl bond lengths are 3.77 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.16 Å) and two longer (2.28 Å) Bi–O bond lengths. In the second Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted corner-sharing BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.15–2.37 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the second O2- site, O2- is bonded to one K1+ and three Bi3+ atoms to form a mixture of distorted edge and corner-sharing OKBi3 trigonal pyramids. Cl1- is bonded in a 2-coordinate geometry to two equivalent K1+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-557071
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; KBi6ClO9; Bi-Cl-K-O
OSTI Identifier:
1269683
DOI:
10.17188/1269683

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on KBi6ClO9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269683.
Persson, Kristin, & Project, Materials. Materials Data on KBi6ClO9 by Materials Project. United States. doi:10.17188/1269683.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on KBi6ClO9 by Materials Project". United States. doi:10.17188/1269683. https://www.osti.gov/servlets/purl/1269683. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1269683,
title = {Materials Data on KBi6ClO9 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {KBi6O9Cl crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. K1+ is bonded in a distorted body-centered cubic geometry to six equivalent O2- and two equivalent Cl1- atoms. All K–O bond lengths are 2.85 Å. Both K–Cl bond lengths are 3.77 Å. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.16 Å) and two longer (2.28 Å) Bi–O bond lengths. In the second Bi3+ site, Bi3+ is bonded to five O2- atoms to form distorted corner-sharing BiO5 square pyramids. There are a spread of Bi–O bond distances ranging from 2.15–2.37 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. In the second O2- site, O2- is bonded to one K1+ and three Bi3+ atoms to form a mixture of distorted edge and corner-sharing OKBi3 trigonal pyramids. Cl1- is bonded in a 2-coordinate geometry to two equivalent K1+ atoms.},
doi = {10.17188/1269683},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Dataset:

Save / Share: