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Title: Materials Data on Ho4Ge8Ru by Materials Project

Abstract

Ho4RuGe8 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.91–3.23 Å. In the second Ho site, Ho is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.98–3.15 Å. In the third Ho site, Ho is bonded in a 8-coordinate geometry to four equivalent Ru and ten Ge atoms. All Ho–Ru bond lengths are 3.21 Å. There are a spread of Ho–Ge bond distances ranging from 3.06–3.44 Å. In the fourth Ho site, Ho is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ho–Ge bond distances ranging from 3.00–3.29 Å. Ru is bonded in a 9-coordinate geometry to four equivalent Ho and five Ge atoms. There are three shorter (2.41 Å) and two longer (2.46 Å) Ru–Ge bond lengths. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six Ho, one Ru, and two equivalent Ge atoms. Both Ge–Gemore » bond lengths are 2.58 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six Ho and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.65 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six Ho and two equivalent Ge atoms. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to six Ho and two equivalent Ge atoms. In the fifth Ge site, Ge is bonded in a 4-coordinate geometry to four Ho and two equivalent Ru atoms. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to four Ho and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.89 Å. In the seventh Ge site, Ge is bonded in a distorted rectangular see-saw-like geometry to four Ho and two equivalent Ru atoms. In the eighth Ge site, Ge is bonded in a 8-coordinate geometry to four Ho and four equivalent Ge atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1224206
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; Ho4Ge8Ru; Ge-Ho-Ru
OSTI Identifier:
1691329
DOI:
https://doi.org/10.17188/1691329

Citation Formats

The Materials Project. Materials Data on Ho4Ge8Ru by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1691329.
The Materials Project. Materials Data on Ho4Ge8Ru by Materials Project. United States. doi:https://doi.org/10.17188/1691329
The Materials Project. 2019. "Materials Data on Ho4Ge8Ru by Materials Project". United States. doi:https://doi.org/10.17188/1691329. https://www.osti.gov/servlets/purl/1691329. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1691329,
title = {Materials Data on Ho4Ge8Ru by Materials Project},
author = {The Materials Project},
abstractNote = {Ho4RuGe8 crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.91–3.23 Å. In the second Ho site, Ho is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.98–3.15 Å. In the third Ho site, Ho is bonded in a 8-coordinate geometry to four equivalent Ru and ten Ge atoms. All Ho–Ru bond lengths are 3.21 Å. There are a spread of Ho–Ge bond distances ranging from 3.06–3.44 Å. In the fourth Ho site, Ho is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Ho–Ge bond distances ranging from 3.00–3.29 Å. Ru is bonded in a 9-coordinate geometry to four equivalent Ho and five Ge atoms. There are three shorter (2.41 Å) and two longer (2.46 Å) Ru–Ge bond lengths. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six Ho, one Ru, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.58 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six Ho and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.65 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to six Ho and two equivalent Ge atoms. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to six Ho and two equivalent Ge atoms. In the fifth Ge site, Ge is bonded in a 4-coordinate geometry to four Ho and two equivalent Ru atoms. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to four Ho and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.89 Å. In the seventh Ge site, Ge is bonded in a distorted rectangular see-saw-like geometry to four Ho and two equivalent Ru atoms. In the eighth Ge site, Ge is bonded in a 8-coordinate geometry to four Ho and four equivalent Ge atoms.},
doi = {10.17188/1691329},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}