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Title: Materials Data on Y4CdMo3O16 by Materials Project

Abstract

Y4CdMo3O16 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.30–2.53 Å. In the second Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.28 Å) and six longer (2.48 Å) Y–O bond lengths. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.79 Å) and two longer (1.82 Å) Mo–O bond length. Cd2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.26 Å) and six longer (2.61 Å) Cd–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Y3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Y3+, one Mo6+, and one Cd2+ atom. In the third O2- site, O2- is bonded to three equivalent Y3+ and one Cd2+ atom to form OY3Cd tetrahedra that share corners withmore » four equivalent OY3Cd tetrahedra and edges with three equivalent OY4 tetrahedra. In the fourth O2- site, O2- is bonded to four Y3+ atoms to form OY4 tetrahedra that share corners with four equivalent OY4 tetrahedra and edges with three equivalent OY3Cd tetrahedra.« less

Publication Date:
Other Number(s):
mp-1216342
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; Y4CdMo3O16; Cd-Mo-O-Y
OSTI Identifier:
1753152
DOI:
https://doi.org/10.17188/1753152

Citation Formats

The Materials Project. Materials Data on Y4CdMo3O16 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753152.
The Materials Project. Materials Data on Y4CdMo3O16 by Materials Project. United States. doi:https://doi.org/10.17188/1753152
The Materials Project. 2020. "Materials Data on Y4CdMo3O16 by Materials Project". United States. doi:https://doi.org/10.17188/1753152. https://www.osti.gov/servlets/purl/1753152. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1753152,
title = {Materials Data on Y4CdMo3O16 by Materials Project},
author = {The Materials Project},
abstractNote = {Y4CdMo3O16 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.30–2.53 Å. In the second Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.28 Å) and six longer (2.48 Å) Y–O bond lengths. Mo6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.79 Å) and two longer (1.82 Å) Mo–O bond length. Cd2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.26 Å) and six longer (2.61 Å) Cd–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Y3+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Y3+, one Mo6+, and one Cd2+ atom. In the third O2- site, O2- is bonded to three equivalent Y3+ and one Cd2+ atom to form OY3Cd tetrahedra that share corners with four equivalent OY3Cd tetrahedra and edges with three equivalent OY4 tetrahedra. In the fourth O2- site, O2- is bonded to four Y3+ atoms to form OY4 tetrahedra that share corners with four equivalent OY4 tetrahedra and edges with three equivalent OY3Cd tetrahedra.},
doi = {10.17188/1753152},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}