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Title: Materials Data on KLu(MoO4)2 by Materials Project

Abstract

KLu(MoO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.34 Å. Lu3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.23–2.70 Å. Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.80–2.37 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, two equivalent Lu3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Lu3+, and two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+, one Lu3+, and one Mo6+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1211454
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; KLu(MoO4)2; K-Lu-Mo-O
OSTI Identifier:
1746257
DOI:
https://doi.org/10.17188/1746257

Citation Formats

The Materials Project. Materials Data on KLu(MoO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746257.
The Materials Project. Materials Data on KLu(MoO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1746257
The Materials Project. 2020. "Materials Data on KLu(MoO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1746257. https://www.osti.gov/servlets/purl/1746257. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1746257,
title = {Materials Data on KLu(MoO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {KLu(MoO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of K–O bond distances ranging from 2.75–3.34 Å. Lu3+ is bonded in a 6-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.23–2.70 Å. Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.80–2.37 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, two equivalent Lu3+, and one Mo6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Lu3+, and two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+, one Lu3+, and one Mo6+ atom.},
doi = {10.17188/1746257},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}