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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 3.21 Å. There are eight shorter (3.01 Å) and four longer (3.36 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded in a 12-coordinate geometry to four equivalent Ir and eight Ge atoms. All Ho–Ir bond lengths are 3.21 Å. There are a spread of Ho–Ge bond distances ranging from 2.94–3.26 Å. In the third Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Ir and four Ge atoms. Both Ho–Ir bond lengths are 3.16 Å. There are two shorter (2.78 Å) and two longer (2.82 Å) Ho–Ge bond lengths. Ir is bonded in a 9-coordinate geometry to four Ho and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.46–2.54 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three Ho, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.94more » Å. In the second Ge site, Ge is bonded in a 5-coordinate geometry to four Ho and two equivalent Ir atoms. In the third Ge site, Ge is bonded in a 6-coordinate geometry to four Ho and two equivalent Ir atoms.« less

Publication Date:
Other Number(s):
mp-29119
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; Ho5(Ge5Ir2)2; Ge-Ho-Ir
OSTI Identifier:
1203259
DOI:
https://doi.org/10.17188/1203259

Citation Formats

The Materials Project. Materials Data on Ho5(Ge5Ir2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203259.
The Materials Project. Materials Data on Ho5(Ge5Ir2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1203259
The Materials Project. 2020. "Materials Data on Ho5(Ge5Ir2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1203259. https://www.osti.gov/servlets/purl/1203259. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1203259,
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 3.21 Å. There are eight shorter (3.01 Å) and four longer (3.36 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded in a 12-coordinate geometry to four equivalent Ir and eight Ge atoms. All Ho–Ir bond lengths are 3.21 Å. There are a spread of Ho–Ge bond distances ranging from 2.94–3.26 Å. In the third Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Ir and four Ge atoms. Both Ho–Ir bond lengths are 3.16 Å. There are two shorter (2.78 Å) and two longer (2.82 Å) Ho–Ge bond lengths. Ir is bonded in a 9-coordinate geometry to four Ho and five Ge atoms. There are a spread of Ir–Ge bond distances ranging from 2.46–2.54 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three Ho, two equivalent Ir, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.94 Å. In the second Ge site, Ge is bonded in a 5-coordinate geometry to four Ho and two equivalent Ir atoms. In the third Ge site, Ge is bonded in a 6-coordinate geometry to four Ho and two equivalent Ir atoms.},
doi = {10.17188/1203259},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}