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Title: Materials Data on Ho5(Ge5Ir2)2 by Materials Project

Abstract

Ho5(Ir2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Ge atoms. All Ho–Ir bond lengths are 3.23 Å. There are eight shorter (2.97 Å) and four longer (3.36 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded to four equivalent Ir and eight Ge atoms to form distorted face-sharing HoGe8Ir4 cuboctahedra. All Ho–Ir bond lengths are 3.13 Å. There are a spread of Ho–Ge bond distances ranging from 2.91–3.10 Å. In the third Ho site, Ho is bonded in a 12-coordinate geometry to four equivalent Ir and ten Ge atoms. All Ho–Ir bond lengths are 3.31 Å. There are a spread of Ho–Ge bond distances ranging from 3.27–3.38 Å. Ir is bonded in a 10-coordinate geometry to five Ho and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.46–2.59 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Ho, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.47 Å.more » In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Ho, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Ho, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.88 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-643659
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; Ho5(Ge5Ir2)2; Ge-Ho-Ir
OSTI Identifier:
1280339
DOI:
https://doi.org/10.17188/1280339

Citation Formats

The Materials Project. Materials Data on Ho5(Ge5Ir2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280339.
The Materials Project. Materials Data on Ho5(Ge5Ir2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1280339
The Materials Project. 2020. "Materials Data on Ho5(Ge5Ir2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1280339. https://www.osti.gov/servlets/purl/1280339. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1280339,
title = {Materials Data on Ho5(Ge5Ir2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho5(Ir2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to four equivalent Ir and twelve Ge atoms. All Ho–Ir bond lengths are 3.23 Å. There are eight shorter (2.97 Å) and four longer (3.36 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded to four equivalent Ir and eight Ge atoms to form distorted face-sharing HoGe8Ir4 cuboctahedra. All Ho–Ir bond lengths are 3.13 Å. There are a spread of Ho–Ge bond distances ranging from 2.91–3.10 Å. In the third Ho site, Ho is bonded in a 12-coordinate geometry to four equivalent Ir and ten Ge atoms. All Ho–Ir bond lengths are 3.31 Å. There are a spread of Ho–Ge bond distances ranging from 3.27–3.38 Å. Ir is bonded in a 10-coordinate geometry to five Ho and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.46–2.59 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Ho, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.47 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Ho, two equivalent Ir, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Ho, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.88 Å.},
doi = {10.17188/1280339},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}