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

Title: Materials Data on K6Na2Pt(WO6)6 by Materials Project

Abstract

K6Na2Pt(WO6)6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K is bonded in a 6-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.74–3.22 Å. Na is bonded in a 4-coordinate geometry to three equivalent O atoms. All Na–O bond lengths are 2.45 Å. W is bonded to six O atoms to form distorted WO6 octahedra that share an edgeedge with one PtO6 octahedra and edges with two equivalent WO6 octahedra. There are a spread of W–O bond distances ranging from 1.82–2.18 Å. Pt is bonded to six equivalent O atoms to form PtO6 octahedra that share edges with six equivalent WO6 octahedra. All Pt–O bond lengths are 2.04 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted water-like geometry to two equivalent K and two equivalent O atoms. Both O–O bond lengths are 1.46 Å. In the second O site, O is bonded in a see-saw-like geometry to one K, one Na, and two equivalent O atoms. In the third O site, O is bonded in a water-like geometry to two equivalent W atoms. In the fourth O site, Omore » is bonded to one K, two equivalent W, and one Pt atom to form a mixture of distorted corner and edge-sharing OKPtW2 trigonal pyramids. In the fifth O site, O is bonded in a 3-coordinate geometry to two equivalent K and one W atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1200820
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; K6Na2Pt(WO6)6; K-Na-O-Pt-W
OSTI Identifier:
1736426
DOI:
https://doi.org/10.17188/1736426

Citation Formats

The Materials Project. Materials Data on K6Na2Pt(WO6)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1736426.
The Materials Project. Materials Data on K6Na2Pt(WO6)6 by Materials Project. United States. doi:https://doi.org/10.17188/1736426
The Materials Project. 2020. "Materials Data on K6Na2Pt(WO6)6 by Materials Project". United States. doi:https://doi.org/10.17188/1736426. https://www.osti.gov/servlets/purl/1736426. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1736426,
title = {Materials Data on K6Na2Pt(WO6)6 by Materials Project},
author = {The Materials Project},
abstractNote = {K6Na2Pt(WO6)6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K is bonded in a 6-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.74–3.22 Å. Na is bonded in a 4-coordinate geometry to three equivalent O atoms. All Na–O bond lengths are 2.45 Å. W is bonded to six O atoms to form distorted WO6 octahedra that share an edgeedge with one PtO6 octahedra and edges with two equivalent WO6 octahedra. There are a spread of W–O bond distances ranging from 1.82–2.18 Å. Pt is bonded to six equivalent O atoms to form PtO6 octahedra that share edges with six equivalent WO6 octahedra. All Pt–O bond lengths are 2.04 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted water-like geometry to two equivalent K and two equivalent O atoms. Both O–O bond lengths are 1.46 Å. In the second O site, O is bonded in a see-saw-like geometry to one K, one Na, and two equivalent O atoms. In the third O site, O is bonded in a water-like geometry to two equivalent W atoms. In the fourth O site, O is bonded to one K, two equivalent W, and one Pt atom to form a mixture of distorted corner and edge-sharing OKPtW2 trigonal pyramids. In the fifth O site, O is bonded in a 3-coordinate geometry to two equivalent K and one W atom.},
doi = {10.17188/1736426},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}