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:
- Publication Date:
- Other Number(s):
- mp-557071
- 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; KBi6ClO9; Bi-Cl-K-O
- OSTI Identifier:
- 1269683
- DOI:
- https://doi.org/10.17188/1269683
Citation Formats
The Materials Project. Materials Data on KBi6ClO9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269683.
The Materials Project. Materials Data on KBi6ClO9 by Materials Project. United States. doi:https://doi.org/10.17188/1269683
The Materials Project. 2020.
"Materials Data on KBi6ClO9 by Materials Project". United States. doi:https://doi.org/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 = {The Materials Project},
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}
}