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

Title: Materials Data on YbMoClO4 by Materials Project

Abstract

YbMoO4Cl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Yb3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Yb–O bond distances ranging from 2.29–2.54 Å. There are one shorter (2.90 Å) and one longer (2.91 Å) Yb–Cl bond lengths. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.79 Å) and one longer (1.81 Å) Mo–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Yb3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Yb3+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a linear geometry to one Yb3+ and one Mo6+ atom. Cl1- is bonded in a distorted water-like geometry to two equivalent Yb3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-647629
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; YbMoClO4; Cl-Mo-O-Yb
OSTI Identifier:
1280734
DOI:
https://doi.org/10.17188/1280734

Citation Formats

The Materials Project. Materials Data on YbMoClO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280734.
The Materials Project. Materials Data on YbMoClO4 by Materials Project. United States. doi:https://doi.org/10.17188/1280734
The Materials Project. 2020. "Materials Data on YbMoClO4 by Materials Project". United States. doi:https://doi.org/10.17188/1280734. https://www.osti.gov/servlets/purl/1280734. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1280734,
title = {Materials Data on YbMoClO4 by Materials Project},
author = {The Materials Project},
abstractNote = {YbMoO4Cl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Yb3+ is bonded in a 8-coordinate geometry to six O2- and two equivalent Cl1- atoms. There are a spread of Yb–O bond distances ranging from 2.29–2.54 Å. There are one shorter (2.90 Å) and one longer (2.91 Å) Yb–Cl bond lengths. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.79 Å) and one longer (1.81 Å) Mo–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Yb3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Yb3+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a linear geometry to one Yb3+ and one Mo6+ atom. Cl1- is bonded in a distorted water-like geometry to two equivalent Yb3+ atoms.},
doi = {10.17188/1280734},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}