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Title: Materials Data on Hf(MnGe)6 by Materials Project

Abstract

HfMn6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Hf is bonded to eight Ge atoms to form distorted edge-sharing HfGe8 hexagonal bipyramids. There are two shorter (2.75 Å) and six longer (2.95 Å) Hf–Ge bond lengths. Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.50–2.66 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Hf and six equivalent Mn atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Hf, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.62 Å.

Publication Date:
Other Number(s):
mp-22018
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; Hf(MnGe)6; Ge-Hf-Mn
OSTI Identifier:
1197292
DOI:
10.17188/1197292

Citation Formats

The Materials Project. Materials Data on Hf(MnGe)6 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1197292.
The Materials Project. Materials Data on Hf(MnGe)6 by Materials Project. United States. doi:10.17188/1197292.
The Materials Project. 2017. "Materials Data on Hf(MnGe)6 by Materials Project". United States. doi:10.17188/1197292. https://www.osti.gov/servlets/purl/1197292. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1197292,
title = {Materials Data on Hf(MnGe)6 by Materials Project},
author = {The Materials Project},
abstractNote = {HfMn6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Hf is bonded to eight Ge atoms to form distorted edge-sharing HfGe8 hexagonal bipyramids. There are two shorter (2.75 Å) and six longer (2.95 Å) Hf–Ge bond lengths. Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.50–2.66 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Hf and six equivalent Mn atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Hf, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.62 Å.},
doi = {10.17188/1197292},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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