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Title: Materials Data on Ga3GePt8 by Materials Project

Abstract

Pt8Ga3Ge crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are eight inequivalent Pt+1.50- sites. In the first Pt+1.50- site, Pt+1.50- is bonded in a 4-coordinate geometry to three Ga+2.67+ and two equivalent Ge4+ atoms. There are one shorter (2.62 Å) and two longer (2.66 Å) Pt–Ga bond lengths. There are one shorter (2.53 Å) and one longer (3.08 Å) Pt–Ge bond lengths. In the second Pt+1.50- site, Pt+1.50- is bonded in a 4-coordinate geometry to four Ga+2.67+ and one Ge4+ atom. There are a spread of Pt–Ga bond distances ranging from 2.57–3.03 Å. The Pt–Ge bond length is 2.59 Å. In the third Pt+1.50- site, Pt+1.50- is bonded in a 4-coordinate geometry to three Ga+2.67+ and two equivalent Ge4+ atoms. There are a spread of Pt–Ga bond distances ranging from 2.56–3.06 Å. Both Pt–Ge bond lengths are 2.62 Å. In the fourth Pt+1.50- site, Pt+1.50- is bonded in a 4-coordinate geometry to five Ga+2.67+ atoms. There are a spread of Pt–Ga bond distances ranging from 2.57–3.04 Å. In the fifth Pt+1.50- site, Pt+1.50- is bonded in a 5-coordinate geometry to five Ga+2.67+ atoms. There are a spread of Pt–Ga bond distances ranging from 2.59–2.92 Å. Inmore » the sixth Pt+1.50- site, Pt+1.50- is bonded in a 3-coordinate geometry to four Ga+2.67+ and one Ge4+ atom. There are two shorter (2.60 Å) and two longer (2.95 Å) Pt–Ga bond lengths. The Pt–Ge bond length is 2.59 Å. In the seventh Pt+1.50- site, Pt+1.50- is bonded in a 3-coordinate geometry to three Ga+2.67+ and two equivalent Ge4+ atoms. There are two shorter (2.58 Å) and one longer (2.59 Å) Pt–Ga bond lengths. Both Pt–Ge bond lengths are 2.97 Å. In the eighth Pt+1.50- site, Pt+1.50- is bonded in a 3-coordinate geometry to three Ga+2.67+ and two equivalent Ge4+ atoms. There are one shorter (2.61 Å) and two longer (2.98 Å) Pt–Ga bond lengths. Both Pt–Ge bond lengths are 2.58 Å. There are three inequivalent Ga+2.67+ sites. In the first Ga+2.67+ site, Ga+2.67+ is bonded in a 10-coordinate geometry to ten Pt+1.50- atoms. In the second Ga+2.67+ site, Ga+2.67+ is bonded in a 10-coordinate geometry to ten Pt+1.50- atoms. In the third Ga+2.67+ site, Ga+2.67+ is bonded in a 10-coordinate geometry to ten Pt+1.50- atoms. Ge4+ is bonded in a 10-coordinate geometry to ten Pt+1.50- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1224871
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; Ga3GePt8; Ga-Ge-Pt
OSTI Identifier:
1680833
DOI:
https://doi.org/10.17188/1680833

Citation Formats

The Materials Project. Materials Data on Ga3GePt8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680833.
The Materials Project. Materials Data on Ga3GePt8 by Materials Project. United States. doi:https://doi.org/10.17188/1680833
The Materials Project. 2020. "Materials Data on Ga3GePt8 by Materials Project". United States. doi:https://doi.org/10.17188/1680833. https://www.osti.gov/servlets/purl/1680833. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1680833,
title = {Materials Data on Ga3GePt8 by Materials Project},
author = {The Materials Project},
abstractNote = {Pt8Ga3Ge crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are eight inequivalent Pt+1.50- sites. In the first Pt+1.50- site, Pt+1.50- is bonded in a 4-coordinate geometry to three Ga+2.67+ and two equivalent Ge4+ atoms. There are one shorter (2.62 Å) and two longer (2.66 Å) Pt–Ga bond lengths. There are one shorter (2.53 Å) and one longer (3.08 Å) Pt–Ge bond lengths. In the second Pt+1.50- site, Pt+1.50- is bonded in a 4-coordinate geometry to four Ga+2.67+ and one Ge4+ atom. There are a spread of Pt–Ga bond distances ranging from 2.57–3.03 Å. The Pt–Ge bond length is 2.59 Å. In the third Pt+1.50- site, Pt+1.50- is bonded in a 4-coordinate geometry to three Ga+2.67+ and two equivalent Ge4+ atoms. There are a spread of Pt–Ga bond distances ranging from 2.56–3.06 Å. Both Pt–Ge bond lengths are 2.62 Å. In the fourth Pt+1.50- site, Pt+1.50- is bonded in a 4-coordinate geometry to five Ga+2.67+ atoms. There are a spread of Pt–Ga bond distances ranging from 2.57–3.04 Å. In the fifth Pt+1.50- site, Pt+1.50- is bonded in a 5-coordinate geometry to five Ga+2.67+ atoms. There are a spread of Pt–Ga bond distances ranging from 2.59–2.92 Å. In the sixth Pt+1.50- site, Pt+1.50- is bonded in a 3-coordinate geometry to four Ga+2.67+ and one Ge4+ atom. There are two shorter (2.60 Å) and two longer (2.95 Å) Pt–Ga bond lengths. The Pt–Ge bond length is 2.59 Å. In the seventh Pt+1.50- site, Pt+1.50- is bonded in a 3-coordinate geometry to three Ga+2.67+ and two equivalent Ge4+ atoms. There are two shorter (2.58 Å) and one longer (2.59 Å) Pt–Ga bond lengths. Both Pt–Ge bond lengths are 2.97 Å. In the eighth Pt+1.50- site, Pt+1.50- is bonded in a 3-coordinate geometry to three Ga+2.67+ and two equivalent Ge4+ atoms. There are one shorter (2.61 Å) and two longer (2.98 Å) Pt–Ga bond lengths. Both Pt–Ge bond lengths are 2.58 Å. There are three inequivalent Ga+2.67+ sites. In the first Ga+2.67+ site, Ga+2.67+ is bonded in a 10-coordinate geometry to ten Pt+1.50- atoms. In the second Ga+2.67+ site, Ga+2.67+ is bonded in a 10-coordinate geometry to ten Pt+1.50- atoms. In the third Ga+2.67+ site, Ga+2.67+ is bonded in a 10-coordinate geometry to ten Pt+1.50- atoms. Ge4+ is bonded in a 10-coordinate geometry to ten Pt+1.50- atoms.},
doi = {10.17188/1680833},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}