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Title: Materials Data on KY(WO4)2 by Materials Project

Abstract

KY(WO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.86–3.07 Å. Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.28–2.31 Å. W6+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of W–O bond distances ranging from 1.83–2.12 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Y3+, and one W6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Y3+, and one W6+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one K1+, one Y3+, and two equivalent W6+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-510264
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; KY(WO4)2; K-O-W-Y
OSTI Identifier:
1262863
DOI:
10.17188/1262863

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on KY(WO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262863.
Persson, Kristin, & Project, Materials. Materials Data on KY(WO4)2 by Materials Project. United States. doi:10.17188/1262863.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on KY(WO4)2 by Materials Project". United States. doi:10.17188/1262863. https://www.osti.gov/servlets/purl/1262863. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1262863,
title = {Materials Data on KY(WO4)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {KY(WO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.86–3.07 Å. Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.28–2.31 Å. W6+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are a spread of W–O bond distances ranging from 1.83–2.12 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Y3+, and one W6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Y3+, and one W6+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to one K1+, one Y3+, and two equivalent W6+ atoms.},
doi = {10.17188/1262863},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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