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Title: Materials Data on AlNi4Ge by Materials Project

Abstract

AlGeNi4 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 3-coordinate geometry to one Al and four equivalent Ge atoms. The Ni–Al bond length is 2.49 Å. There are two shorter (2.41 Å) and two longer (2.69 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 5-coordinate geometry to four equivalent Al and one Ge atom. There are two shorter (2.45 Å) and two longer (2.57 Å) Ni–Al bond lengths. The Ni–Ge bond length is 2.47 Å. In the third Ni site, Ni is bonded in a 5-coordinate geometry to three equivalent Al and two equivalent Ge atoms. There are two shorter (2.41 Å) and one longer (2.65 Å) Ni–Al bond lengths. Both Ni–Ge bond lengths are 2.38 Å. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to two equivalent Al and three equivalent Ge atoms. Both Ni–Al bond lengths are 2.44 Å. There are a spread of Ni–Ge bond distances ranging from 2.40–2.64 Å. Al is bonded in a 10-coordinate geometry to ten Ni atoms. Ge is bonded in a 10-coordinate geometrymore » to ten Ni atoms.« less

Publication Date:
Other Number(s):
mp-1228880
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; AlNi4Ge; Al-Ge-Ni
OSTI Identifier:
1685754
DOI:
https://doi.org/10.17188/1685754

Citation Formats

The Materials Project. Materials Data on AlNi4Ge by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1685754.
The Materials Project. Materials Data on AlNi4Ge by Materials Project. United States. doi:https://doi.org/10.17188/1685754
The Materials Project. 2019. "Materials Data on AlNi4Ge by Materials Project". United States. doi:https://doi.org/10.17188/1685754. https://www.osti.gov/servlets/purl/1685754. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1685754,
title = {Materials Data on AlNi4Ge by Materials Project},
author = {The Materials Project},
abstractNote = {AlGeNi4 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 3-coordinate geometry to one Al and four equivalent Ge atoms. The Ni–Al bond length is 2.49 Å. There are two shorter (2.41 Å) and two longer (2.69 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 5-coordinate geometry to four equivalent Al and one Ge atom. There are two shorter (2.45 Å) and two longer (2.57 Å) Ni–Al bond lengths. The Ni–Ge bond length is 2.47 Å. In the third Ni site, Ni is bonded in a 5-coordinate geometry to three equivalent Al and two equivalent Ge atoms. There are two shorter (2.41 Å) and one longer (2.65 Å) Ni–Al bond lengths. Both Ni–Ge bond lengths are 2.38 Å. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to two equivalent Al and three equivalent Ge atoms. Both Ni–Al bond lengths are 2.44 Å. There are a spread of Ni–Ge bond distances ranging from 2.40–2.64 Å. Al is bonded in a 10-coordinate geometry to ten Ni atoms. Ge is bonded in a 10-coordinate geometry to ten Ni atoms.},
doi = {10.17188/1685754},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}