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

Title: Materials Data on K4PbO3 by Materials Project

Abstract

K4PbO3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.70–2.81 Å. In the second K1+ site, K1+ is bonded to four O2- atoms to form distorted KO4 tetrahedra that share corners with three equivalent KO5 square pyramids, corners with two equivalent KO4 tetrahedra, and edges with two equivalent KO5 square pyramids. There are a spread of K–O bond distances ranging from 2.68–2.82 Å. In the third K1+ site, K1+ is bonded to five O2- atoms to form distorted KO5 square pyramids that share corners with three equivalent KO4 tetrahedra, edges with two equivalent KO5 square pyramids, and edges with two equivalent KO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.74–2.91 Å. In the fourth K1+ site, K1+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.64–2.71 Å. Pb2+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Pb–Omore » bond distances ranging from 2.20–2.23 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to five K1+ and one Pb2+ atom to form a mixture of distorted edge and corner-sharing OK5Pb octahedra. The corner-sharing octahedra tilt angles range from 17–72°. In the second O2- site, O2- is bonded to five K1+ and one Pb2+ atom to form a mixture of distorted edge and corner-sharing OK5Pb octahedra. The corner-sharing octahedra tilt angles range from 10–72°. In the third O2- site, O2- is bonded to five K1+ and one Pb2+ atom to form a mixture of edge and corner-sharing OK5Pb octahedra. The corner-sharing octahedra tilt angles range from 10–72°.« less

Publication Date:
Other Number(s):
mp-21949
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; K4PbO3; K-O-Pb
OSTI Identifier:
1197262
DOI:
10.17188/1197262

Citation Formats

The Materials Project. Materials Data on K4PbO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197262.
The Materials Project. Materials Data on K4PbO3 by Materials Project. United States. doi:10.17188/1197262.
The Materials Project. 2020. "Materials Data on K4PbO3 by Materials Project". United States. doi:10.17188/1197262. https://www.osti.gov/servlets/purl/1197262. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1197262,
title = {Materials Data on K4PbO3 by Materials Project},
author = {The Materials Project},
abstractNote = {K4PbO3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.70–2.81 Å. In the second K1+ site, K1+ is bonded to four O2- atoms to form distorted KO4 tetrahedra that share corners with three equivalent KO5 square pyramids, corners with two equivalent KO4 tetrahedra, and edges with two equivalent KO5 square pyramids. There are a spread of K–O bond distances ranging from 2.68–2.82 Å. In the third K1+ site, K1+ is bonded to five O2- atoms to form distorted KO5 square pyramids that share corners with three equivalent KO4 tetrahedra, edges with two equivalent KO5 square pyramids, and edges with two equivalent KO4 tetrahedra. There are a spread of K–O bond distances ranging from 2.74–2.91 Å. In the fourth K1+ site, K1+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.64–2.71 Å. Pb2+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.20–2.23 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to five K1+ and one Pb2+ atom to form a mixture of distorted edge and corner-sharing OK5Pb octahedra. The corner-sharing octahedra tilt angles range from 17–72°. In the second O2- site, O2- is bonded to five K1+ and one Pb2+ atom to form a mixture of distorted edge and corner-sharing OK5Pb octahedra. The corner-sharing octahedra tilt angles range from 10–72°. In the third O2- site, O2- is bonded to five K1+ and one Pb2+ atom to form a mixture of edge and corner-sharing OK5Pb octahedra. The corner-sharing octahedra tilt angles range from 10–72°.},
doi = {10.17188/1197262},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

Dataset:

Save / Share: