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Title: Materials Data on Y(Mo3Se4)2 by Materials Project

Abstract

Y(Mo3Se4)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are two shorter (2.82 Å) and six longer (3.12 Å) Y–Se bond lengths. Mo+2.17+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.75 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to one Y3+ and three equivalent Mo+2.17+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to one Y3+ and four equivalent Mo+2.17+ atoms.

Publication Date:
Other Number(s):
mp-1103848
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; Y(Mo3Se4)2; Mo-Se-Y
OSTI Identifier:
1681000
DOI:
https://doi.org/10.17188/1681000

Citation Formats

The Materials Project. Materials Data on Y(Mo3Se4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681000.
The Materials Project. Materials Data on Y(Mo3Se4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1681000
The Materials Project. 2020. "Materials Data on Y(Mo3Se4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1681000. https://www.osti.gov/servlets/purl/1681000. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1681000,
title = {Materials Data on Y(Mo3Se4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Y(Mo3Se4)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are two shorter (2.82 Å) and six longer (3.12 Å) Y–Se bond lengths. Mo+2.17+ is bonded to five Se2- atoms to form a mixture of edge and corner-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.54–2.75 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to one Y3+ and three equivalent Mo+2.17+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to one Y3+ and four equivalent Mo+2.17+ atoms.},
doi = {10.17188/1681000},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}