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

Title: Materials Data on K2Bi2O5 by Materials Project

Abstract

K2Bi2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All K–O bond lengths are 2.90 Å. In the second K1+ site, K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share corners with four equivalent KO12 cuboctahedra, faces with four equivalent KO12 cuboctahedra, and faces with eight equivalent BiO5 square pyramids. There are four shorter (3.08 Å) and eight longer (3.26 Å) K–O bond lengths. Bi4+ is bonded to five O2- atoms to form BiO5 square pyramids that share corners with five equivalent BiO5 square pyramids and faces with four equivalent KO12 cuboctahedra. There are one shorter (2.11 Å) and four longer (2.20 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four K1+ and two equivalent Bi4+ atoms. In the second O2- site, O2- is bonded to four equivalent K1+ and two equivalent Bi4+ atoms to form a mixture of distorted edge and corner-sharing OK4Bi2 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1184760
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; K2Bi2O5; Bi-K-O
OSTI Identifier:
1746569
DOI:
https://doi.org/10.17188/1746569

Citation Formats

The Materials Project. Materials Data on K2Bi2O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746569.
The Materials Project. Materials Data on K2Bi2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1746569
The Materials Project. 2020. "Materials Data on K2Bi2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1746569. https://www.osti.gov/servlets/purl/1746569. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1746569,
title = {Materials Data on K2Bi2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Bi2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All K–O bond lengths are 2.90 Å. In the second K1+ site, K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share corners with four equivalent KO12 cuboctahedra, faces with four equivalent KO12 cuboctahedra, and faces with eight equivalent BiO5 square pyramids. There are four shorter (3.08 Å) and eight longer (3.26 Å) K–O bond lengths. Bi4+ is bonded to five O2- atoms to form BiO5 square pyramids that share corners with five equivalent BiO5 square pyramids and faces with four equivalent KO12 cuboctahedra. There are one shorter (2.11 Å) and four longer (2.20 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four K1+ and two equivalent Bi4+ atoms. In the second O2- site, O2- is bonded to four equivalent K1+ and two equivalent Bi4+ atoms to form a mixture of distorted edge and corner-sharing OK4Bi2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1746569},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}