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Title: Materials Data on K2CoP2WO10 by Materials Project

Abstract

K2WCoP2O10 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.63–2.70 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent CoO6 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of W–O bond distances ranging from 1.81–2.09 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Co–O bond distances ranging from 2.07–2.19 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent WO6 octahedra and corners with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 42–51°. There are a spread of P–O bond distances ranging from 1.52–1.60 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Co2+, and one P5+ atom. In themore » second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one W6+, and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one W6+ and one Co2+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one W6+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Co2+, and one P5+ atom.« less

Publication Date:
Other Number(s):
mp-645301
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; K2CoP2WO10; Co-K-O-P-W
OSTI Identifier:
1280527
DOI:
https://doi.org/10.17188/1280527

Citation Formats

The Materials Project. Materials Data on K2CoP2WO10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280527.
The Materials Project. Materials Data on K2CoP2WO10 by Materials Project. United States. doi:https://doi.org/10.17188/1280527
The Materials Project. 2020. "Materials Data on K2CoP2WO10 by Materials Project". United States. doi:https://doi.org/10.17188/1280527. https://www.osti.gov/servlets/purl/1280527. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1280527,
title = {Materials Data on K2CoP2WO10 by Materials Project},
author = {The Materials Project},
abstractNote = {K2WCoP2O10 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to three O2- atoms. There are a spread of K–O bond distances ranging from 2.63–2.70 Å. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with two equivalent CoO6 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of W–O bond distances ranging from 1.81–2.09 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Co–O bond distances ranging from 2.07–2.19 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent WO6 octahedra and corners with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 42–51°. There are a spread of P–O bond distances ranging from 1.52–1.60 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Co2+, and one P5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one W6+, and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one W6+ and one Co2+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one W6+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Co2+, and one P5+ atom.},
doi = {10.17188/1280527},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}