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Title: Materials Data on Ni19Ge12 by Materials Project

Abstract

Ni19Ge12 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are ten inequivalent Ni sites. In the first Ni site, Ni is bonded in a 5-coordinate geometry to six Ni and five Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.56–2.67 Å. There are three shorter (2.36 Å) and two longer (2.50 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 5-coordinate geometry to six Ni and five Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.55–2.64 Å. There are a spread of Ni–Ge bond distances ranging from 2.36–2.57 Å. In the third Ni site, Ni is bonded in a 5-coordinate geometry to six Ni and five Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.56–2.67 Å. There are a spread of Ni–Ge bond distances ranging from 2.35–2.53 Å. 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–Ni bond distances ranging from 2.57–2.66 Å. There are a spread of Ni–Ge bond distances ranging from 2.35–2.54 Å. In the fifth Ni site, Ni is bondedmore » in a 12-coordinate geometry to six Ni and six Ge atoms. Both Ni–Ni bond lengths are 2.53 Å. There are a spread of Ni–Ge bond distances ranging from 2.41–2.86 Å. In the sixth Ni site, Ni is bonded in a 11-coordinate geometry to five Ni and six Ge atoms. The Ni–Ni bond length is 2.49 Å. There are a spread of Ni–Ge bond distances ranging from 2.43–2.78 Å. In the seventh Ni site, Ni is bonded in a 11-coordinate geometry to five Ni and six Ge atoms. The Ni–Ni bond length is 2.53 Å. There are a spread of Ni–Ge bond distances ranging from 2.37–2.86 Å. In the eighth Ni site, Ni is bonded to six Ni and six Ge atoms to form a mixture of distorted corner, edge, and face-sharing NiNi6Ge6 cuboctahedra. There are a spread of Ni–Ge bond distances ranging from 2.46–2.81 Å. In the ninth Ni site, Ni is bonded to six Ni and six Ge atoms to form a mixture of distorted corner, edge, and face-sharing NiNi6Ge6 cuboctahedra. There are one shorter (2.53 Å) and one longer (2.54 Å) Ni–Ni bond lengths. There are a spread of Ni–Ge bond distances ranging from 2.42–2.89 Å. In the tenth Ni site, Ni is bonded in a 11-coordinate geometry to five Ni and six Ge atoms. The Ni–Ni bond length is 2.49 Å. There are a spread of Ni–Ge bond distances ranging from 2.42–2.90 Å. There are seven 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 9-coordinate geometry to nine Ni atoms. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to nine Ni atoms. In the fifth Ge site, Ge is bonded in a 8-coordinate geometry to eight Ni atoms. In the sixth Ge site, Ge is bonded in a 7-coordinate geometry to nine Ni atoms. In the seventh Ge site, Ge is bonded in a 9-coordinate geometry to nine Ni atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-30082
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; Ni19Ge12; Ge-Ni
OSTI Identifier:
1204512
DOI:
https://doi.org/10.17188/1204512

Citation Formats

The Materials Project. Materials Data on Ni19Ge12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204512.
The Materials Project. Materials Data on Ni19Ge12 by Materials Project. United States. doi:https://doi.org/10.17188/1204512
The Materials Project. 2020. "Materials Data on Ni19Ge12 by Materials Project". United States. doi:https://doi.org/10.17188/1204512. https://www.osti.gov/servlets/purl/1204512. Pub date:Wed Jun 24 00:00:00 EDT 2020
@article{osti_1204512,
title = {Materials Data on Ni19Ge12 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni19Ge12 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are ten inequivalent Ni sites. In the first Ni site, Ni is bonded in a 5-coordinate geometry to six Ni and five Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.56–2.67 Å. There are three shorter (2.36 Å) and two longer (2.50 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 5-coordinate geometry to six Ni and five Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.55–2.64 Å. There are a spread of Ni–Ge bond distances ranging from 2.36–2.57 Å. In the third Ni site, Ni is bonded in a 5-coordinate geometry to six Ni and five Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.56–2.67 Å. There are a spread of Ni–Ge bond distances ranging from 2.35–2.53 Å. 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–Ni bond distances ranging from 2.57–2.66 Å. There are a spread of Ni–Ge bond distances ranging from 2.35–2.54 Å. In the fifth Ni site, Ni is bonded in a 12-coordinate geometry to six Ni and six Ge atoms. Both Ni–Ni bond lengths are 2.53 Å. There are a spread of Ni–Ge bond distances ranging from 2.41–2.86 Å. In the sixth Ni site, Ni is bonded in a 11-coordinate geometry to five Ni and six Ge atoms. The Ni–Ni bond length is 2.49 Å. There are a spread of Ni–Ge bond distances ranging from 2.43–2.78 Å. In the seventh Ni site, Ni is bonded in a 11-coordinate geometry to five Ni and six Ge atoms. The Ni–Ni bond length is 2.53 Å. There are a spread of Ni–Ge bond distances ranging from 2.37–2.86 Å. In the eighth Ni site, Ni is bonded to six Ni and six Ge atoms to form a mixture of distorted corner, edge, and face-sharing NiNi6Ge6 cuboctahedra. There are a spread of Ni–Ge bond distances ranging from 2.46–2.81 Å. In the ninth Ni site, Ni is bonded to six Ni and six Ge atoms to form a mixture of distorted corner, edge, and face-sharing NiNi6Ge6 cuboctahedra. There are one shorter (2.53 Å) and one longer (2.54 Å) Ni–Ni bond lengths. There are a spread of Ni–Ge bond distances ranging from 2.42–2.89 Å. In the tenth Ni site, Ni is bonded in a 11-coordinate geometry to five Ni and six Ge atoms. The Ni–Ni bond length is 2.49 Å. There are a spread of Ni–Ge bond distances ranging from 2.42–2.90 Å. There are seven 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 9-coordinate geometry to nine Ni atoms. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to nine Ni atoms. In the fifth Ge site, Ge is bonded in a 8-coordinate geometry to eight Ni atoms. In the sixth Ge site, Ge is bonded in a 7-coordinate geometry to nine Ni atoms. In the seventh Ge site, Ge is bonded in a 9-coordinate geometry to nine Ni atoms.},
doi = {10.17188/1204512},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}