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Title: Materials Data on Ni7Ge4 by Materials Project

Abstract

Ni7Ge4 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to seven Ni and six Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.44–2.67 Å. There are a spread of Ni–Ge bond distances ranging from 2.57–2.77 Å. In the second Ni site, Ni is bonded to six Ni and six Ge atoms to form distorted NiNi6Ge6 cuboctahedra that share corners with two equivalent NiNi6Ge6 cuboctahedra, corners with three equivalent NiNi6Ge5 trigonal bipyramids, edges with four equivalent NiNi6Ge6 cuboctahedra, edges with two equivalent NiNi6Ge5 trigonal bipyramids, faces with three equivalent NiNi6Ge6 cuboctahedra, and a faceface with one NiNi6Ge5 trigonal bipyramid. There are a spread of Ni–Ni bond distances ranging from 2.49–2.64 Å. There are a spread of Ni–Ge bond distances ranging from 2.48–2.62 Å. In the third Ni site, Ni is bonded to six Ni and five Ge atoms to form distorted NiNi6Ge5 trigonal bipyramids that share corners with six equivalent NiNi6Ge6 cuboctahedra, edges with four equivalent NiNi6Ge6 cuboctahedra, faces with two equivalent NiNi6Ge6 cuboctahedra, and faces with two equivalent NiNi6Ge5 trigonal bipyramids. There are three shortermore » (2.38 Å) and two longer (2.52 Å) Ni–Ge bond lengths. In the fourth Ni site, Ni is bonded in a 5-coordinate geometry to six Ni and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.28–2.55 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Ni atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Ni atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to ten Ni atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1219825
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; Ni7Ge4; Ge-Ni
OSTI Identifier:
1684205
DOI:
https://doi.org/10.17188/1684205

Citation Formats

The Materials Project. Materials Data on Ni7Ge4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1684205.
The Materials Project. Materials Data on Ni7Ge4 by Materials Project. United States. doi:https://doi.org/10.17188/1684205
The Materials Project. 2019. "Materials Data on Ni7Ge4 by Materials Project". United States. doi:https://doi.org/10.17188/1684205. https://www.osti.gov/servlets/purl/1684205. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1684205,
title = {Materials Data on Ni7Ge4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni7Ge4 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to seven Ni and six Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.44–2.67 Å. There are a spread of Ni–Ge bond distances ranging from 2.57–2.77 Å. In the second Ni site, Ni is bonded to six Ni and six Ge atoms to form distorted NiNi6Ge6 cuboctahedra that share corners with two equivalent NiNi6Ge6 cuboctahedra, corners with three equivalent NiNi6Ge5 trigonal bipyramids, edges with four equivalent NiNi6Ge6 cuboctahedra, edges with two equivalent NiNi6Ge5 trigonal bipyramids, faces with three equivalent NiNi6Ge6 cuboctahedra, and a faceface with one NiNi6Ge5 trigonal bipyramid. There are a spread of Ni–Ni bond distances ranging from 2.49–2.64 Å. There are a spread of Ni–Ge bond distances ranging from 2.48–2.62 Å. In the third Ni site, Ni is bonded to six Ni and five Ge atoms to form distorted NiNi6Ge5 trigonal bipyramids that share corners with six equivalent NiNi6Ge6 cuboctahedra, edges with four equivalent NiNi6Ge6 cuboctahedra, faces with two equivalent NiNi6Ge6 cuboctahedra, and faces with two equivalent NiNi6Ge5 trigonal bipyramids. There are three shorter (2.38 Å) and two longer (2.52 Å) Ni–Ge bond lengths. In the fourth Ni site, Ni is bonded in a 5-coordinate geometry to six Ni and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.28–2.55 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Ni atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Ni atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to ten Ni atoms.},
doi = {10.17188/1684205},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}