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Title: Materials Data on Ga3B4Pt9 by Materials Project

Abstract

Pt9Ga3B4 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 5-coordinate geometry to three equivalent Ga2+ and two B3+ atoms. There are a spread of Pt–Ga bond distances ranging from 2.54–2.78 Å. There are one shorter (2.17 Å) and one longer (2.22 Å) Pt–B bond lengths. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to one Ga2+ and four equivalent B3+ atoms. The Pt–Ga bond length is 2.52 Å. There are two shorter (2.25 Å) and two longer (2.32 Å) Pt–B bond lengths. Ga2+ is bonded in a 9-coordinate geometry to seven Pt2- atoms. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to six Pt2- atoms to form a mixture of distorted edge and corner-sharing BPt6 pentagonal pyramids. In the second B3+ site, B3+ is bonded to six equivalent Pt2- atoms to form distorted corner-sharing BPt6 pentagonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-28869
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; Ga3B4Pt9; B-Ga-Pt
OSTI Identifier:
1202949
DOI:
https://doi.org/10.17188/1202949

Citation Formats

The Materials Project. Materials Data on Ga3B4Pt9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202949.
The Materials Project. Materials Data on Ga3B4Pt9 by Materials Project. United States. doi:https://doi.org/10.17188/1202949
The Materials Project. 2020. "Materials Data on Ga3B4Pt9 by Materials Project". United States. doi:https://doi.org/10.17188/1202949. https://www.osti.gov/servlets/purl/1202949. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1202949,
title = {Materials Data on Ga3B4Pt9 by Materials Project},
author = {The Materials Project},
abstractNote = {Pt9Ga3B4 crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 5-coordinate geometry to three equivalent Ga2+ and two B3+ atoms. There are a spread of Pt–Ga bond distances ranging from 2.54–2.78 Å. There are one shorter (2.17 Å) and one longer (2.22 Å) Pt–B bond lengths. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to one Ga2+ and four equivalent B3+ atoms. The Pt–Ga bond length is 2.52 Å. There are two shorter (2.25 Å) and two longer (2.32 Å) Pt–B bond lengths. Ga2+ is bonded in a 9-coordinate geometry to seven Pt2- atoms. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded to six Pt2- atoms to form a mixture of distorted edge and corner-sharing BPt6 pentagonal pyramids. In the second B3+ site, B3+ is bonded to six equivalent Pt2- atoms to form distorted corner-sharing BPt6 pentagonal pyramids.},
doi = {10.17188/1202949},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}