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Title: Materials Data on YbMoClO4 by Materials Project

Abstract

(YbMoO4)2Cl2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional and consists of two molecular chlorine molecules and one YbMoO4 framework. In the YbMoO4 framework, Yb3+ is bonded to six O2- atoms to form distorted YbO6 pentagonal pyramids that share corners with four equivalent MoO4 tetrahedra, edges with two equivalent YbO6 pentagonal pyramids, and an edgeedge with one MoO4 tetrahedra. There are a spread of Yb–O bond distances ranging from 2.26–2.50 Å. Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with four equivalent YbO6 pentagonal pyramids and an edgeedge with one YbO6 pentagonal pyramid. There are a spread of Mo–O bond distances ranging from 1.77–1.82 Å. 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 distorted linear geometry to one Yb3+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Yb3+ and one Mo6+ atom.

Authors:
Publication Date:
Other Number(s):
mp-866267
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:
1311492
DOI:
https://doi.org/10.17188/1311492

Citation Formats

The Materials Project. Materials Data on YbMoClO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1311492.
The Materials Project. Materials Data on YbMoClO4 by Materials Project. United States. doi:https://doi.org/10.17188/1311492
The Materials Project. 2020. "Materials Data on YbMoClO4 by Materials Project". United States. doi:https://doi.org/10.17188/1311492. https://www.osti.gov/servlets/purl/1311492. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1311492,
title = {Materials Data on YbMoClO4 by Materials Project},
author = {The Materials Project},
abstractNote = {(YbMoO4)2Cl2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional and consists of two molecular chlorine molecules and one YbMoO4 framework. In the YbMoO4 framework, Yb3+ is bonded to six O2- atoms to form distorted YbO6 pentagonal pyramids that share corners with four equivalent MoO4 tetrahedra, edges with two equivalent YbO6 pentagonal pyramids, and an edgeedge with one MoO4 tetrahedra. There are a spread of Yb–O bond distances ranging from 2.26–2.50 Å. Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with four equivalent YbO6 pentagonal pyramids and an edgeedge with one YbO6 pentagonal pyramid. There are a spread of Mo–O bond distances ranging from 1.77–1.82 Å. 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 distorted linear geometry to one Yb3+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Yb3+ and one Mo6+ atom.},
doi = {10.17188/1311492},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}