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Title: Materials Data on Y5(Ge5Ir2)2 by Materials Project

Abstract

Y5(Ir2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Ge atoms. All Y–Ir bond lengths are 3.22 Å. There are eight shorter (2.99 Å) and four longer (3.36 Å) Y–Ge bond lengths. In the second Y site, Y is bonded to four equivalent Ir and eight Ge atoms to form face-sharing YGe8Ir4 cuboctahedra. All Y–Ir bond lengths are 3.13 Å. There are a spread of Y–Ge bond distances ranging from 2.95–3.08 Å. In the third Y site, Y is bonded in a 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All Y–Ir bond lengths are 3.34 Å. There are a spread of Y–Ge bond distances ranging from 3.29–3.38 Å. Ir is bonded in a 10-coordinate geometry to five Y and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.47–2.57 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Y, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.45 Å. Inmore » the second Ge site, Ge is bonded in a 2-coordinate geometry to five Y, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Y, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.90 Å.« less

Publication Date:
Other Number(s):
mp-1196414
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; Y5(Ge5Ir2)2; Ge-Ir-Y
OSTI Identifier:
1655940
DOI:
https://doi.org/10.17188/1655940

Citation Formats

The Materials Project. Materials Data on Y5(Ge5Ir2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655940.
The Materials Project. Materials Data on Y5(Ge5Ir2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1655940
The Materials Project. 2020. "Materials Data on Y5(Ge5Ir2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1655940. https://www.osti.gov/servlets/purl/1655940. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1655940,
title = {Materials Data on Y5(Ge5Ir2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Y5(Ir2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Ge atoms. All Y–Ir bond lengths are 3.22 Å. There are eight shorter (2.99 Å) and four longer (3.36 Å) Y–Ge bond lengths. In the second Y site, Y is bonded to four equivalent Ir and eight Ge atoms to form face-sharing YGe8Ir4 cuboctahedra. All Y–Ir bond lengths are 3.13 Å. There are a spread of Y–Ge bond distances ranging from 2.95–3.08 Å. In the third Y site, Y is bonded in a 8-coordinate geometry to four equivalent Ir and ten Ge atoms. All Y–Ir bond lengths are 3.34 Å. There are a spread of Y–Ge bond distances ranging from 3.29–3.38 Å. Ir is bonded in a 10-coordinate geometry to five Y and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.47–2.57 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Y, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.45 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Y, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Y, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.90 Å.},
doi = {10.17188/1655940},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}