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Title: Materials Data on Mg(NiGe)6 by Materials Project

Abstract

Mg(NiGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Ni and eight Ge atoms to form distorted face-sharing MgNi12Ge8 hexagonal bipyramids. All Mg–Ni bond lengths are 3.21 Å. There are two shorter (2.66 Å) and six longer (2.95 Å) Mg–Ge bond lengths. Ni is bonded in a 12-coordinate geometry to two equivalent Mg, four equivalent Ni, and six Ge atoms. All Ni–Ni bond lengths are 2.55 Å. There are a spread of Ni–Ge bond distances ranging from 2.45–2.65 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Mg and six equivalent Ni atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Ni atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Mg, six equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.52 Å.

Publication Date:
Other Number(s):
mp-1104779
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; Mg(NiGe)6; Ge-Mg-Ni
OSTI Identifier:
1662352
DOI:
https://doi.org/10.17188/1662352

Citation Formats

The Materials Project. Materials Data on Mg(NiGe)6 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1662352.
The Materials Project. Materials Data on Mg(NiGe)6 by Materials Project. United States. doi:https://doi.org/10.17188/1662352
The Materials Project. 2018. "Materials Data on Mg(NiGe)6 by Materials Project". United States. doi:https://doi.org/10.17188/1662352. https://www.osti.gov/servlets/purl/1662352. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1662352,
title = {Materials Data on Mg(NiGe)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg(NiGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Ni and eight Ge atoms to form distorted face-sharing MgNi12Ge8 hexagonal bipyramids. All Mg–Ni bond lengths are 3.21 Å. There are two shorter (2.66 Å) and six longer (2.95 Å) Mg–Ge bond lengths. Ni is bonded in a 12-coordinate geometry to two equivalent Mg, four equivalent Ni, and six Ge atoms. All Ni–Ni bond lengths are 2.55 Å. There are a spread of Ni–Ge bond distances ranging from 2.45–2.65 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Mg and six equivalent Ni atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Ni atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Mg, six equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.52 Å.},
doi = {10.17188/1662352},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}