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Title: Materials Data on Y2Zn3 by Materials Project

Abstract

Y2Zn3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent Y sites. In the first Y site, Y is bonded in a 9-coordinate geometry to four Y and nine Zn atoms. There are one shorter (3.28 Å) and three longer (3.37 Å) Y–Y bond lengths. There are a spread of Y–Zn bond distances ranging from 3.24–3.54 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to four Y and nine Zn atoms. There are two shorter (3.37 Å) and one longer (3.38 Å) Y–Y bond lengths. There are a spread of Y–Zn bond distances ranging from 3.24–3.54 Å. In the third Y site, Y is bonded in a 6-coordinate geometry to three equivalent Y and six Zn atoms. There are a spread of Y–Zn bond distances ranging from 2.91–3.05 Å. In the fourth Y site, Y is bonded in a 6-coordinate geometry to three equivalent Y and six Zn atoms. There are a spread of Y–Zn bond distances ranging from 2.91–3.05 Å. There are six inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted q6 geometry to six Y and four Zn atoms. There aremore » two shorter (2.80 Å) and two longer (2.81 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a distorted q6 geometry to six Y and four Zn atoms. Both Zn–Zn bond lengths are 2.81 Å. In the third Zn site, Zn is bonded in a distorted q6 geometry to six Y and four Zn atoms. In the fourth Zn site, Zn is bonded in a 2-coordinate geometry to four Y and four Zn atoms. There are two shorter (2.51 Å) and two longer (3.11 Å) Zn–Zn bond lengths. In the fifth Zn site, Zn is bonded in a 2-coordinate geometry to four Y and four Zn atoms. There are one shorter (2.51 Å) and one longer (3.09 Å) Zn–Zn bond lengths. In the sixth Zn site, Zn is bonded in a 2-coordinate geometry to four Y and four Zn atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1189228
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; Y2Zn3; Y-Zn
OSTI Identifier:
1689658
DOI:
https://doi.org/10.17188/1689658

Citation Formats

The Materials Project. Materials Data on Y2Zn3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1689658.
The Materials Project. Materials Data on Y2Zn3 by Materials Project. United States. doi:https://doi.org/10.17188/1689658
The Materials Project. 2019. "Materials Data on Y2Zn3 by Materials Project". United States. doi:https://doi.org/10.17188/1689658. https://www.osti.gov/servlets/purl/1689658. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1689658,
title = {Materials Data on Y2Zn3 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2Zn3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent Y sites. In the first Y site, Y is bonded in a 9-coordinate geometry to four Y and nine Zn atoms. There are one shorter (3.28 Å) and three longer (3.37 Å) Y–Y bond lengths. There are a spread of Y–Zn bond distances ranging from 3.24–3.54 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to four Y and nine Zn atoms. There are two shorter (3.37 Å) and one longer (3.38 Å) Y–Y bond lengths. There are a spread of Y–Zn bond distances ranging from 3.24–3.54 Å. In the third Y site, Y is bonded in a 6-coordinate geometry to three equivalent Y and six Zn atoms. There are a spread of Y–Zn bond distances ranging from 2.91–3.05 Å. In the fourth Y site, Y is bonded in a 6-coordinate geometry to three equivalent Y and six Zn atoms. There are a spread of Y–Zn bond distances ranging from 2.91–3.05 Å. There are six inequivalent Zn sites. In the first Zn site, Zn is bonded in a distorted q6 geometry to six Y and four Zn atoms. There are two shorter (2.80 Å) and two longer (2.81 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a distorted q6 geometry to six Y and four Zn atoms. Both Zn–Zn bond lengths are 2.81 Å. In the third Zn site, Zn is bonded in a distorted q6 geometry to six Y and four Zn atoms. In the fourth Zn site, Zn is bonded in a 2-coordinate geometry to four Y and four Zn atoms. There are two shorter (2.51 Å) and two longer (3.11 Å) Zn–Zn bond lengths. In the fifth Zn site, Zn is bonded in a 2-coordinate geometry to four Y and four Zn atoms. There are one shorter (2.51 Å) and one longer (3.09 Å) Zn–Zn bond lengths. In the sixth Zn site, Zn is bonded in a 2-coordinate geometry to four Y and four Zn atoms.},
doi = {10.17188/1689658},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}