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Title: Materials Data on PaPt5 by Materials Project

Abstract

PaPt5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pa3+ is bonded in a 12-coordinate geometry to sixteen Pt+0.60- atoms. There are twelve shorter (3.12 Å) and four longer (3.26 Å) Pa–Pt bond lengths. There are two inequivalent Pt+0.60- sites. In the first Pt+0.60- site, Pt+0.60- is bonded to four equivalent Pa3+ and twelve equivalent Pt+0.60- atoms to form distorted PtPa4Pt12 tetrahedra that share corners with twelve equivalent PtPa3Pt9 cuboctahedra, faces with twenty-eight equivalent PtPa3Pt9 cuboctahedra, and faces with twelve equivalent PtPa4Pt12 tetrahedra. All Pt–Pt bond lengths are 3.12 Å. In the second Pt+0.60- site, Pt+0.60- is bonded to three equivalent Pa3+ and nine Pt+0.60- atoms to form distorted PtPa3Pt9 cuboctahedra that share corners with eighteen equivalent PtPa3Pt9 cuboctahedra, corners with three equivalent PtPa4Pt12 tetrahedra, edges with six equivalent PtPa3Pt9 cuboctahedra, faces with eighteen equivalent PtPa3Pt9 cuboctahedra, and faces with seven equivalent PtPa4Pt12 tetrahedra. There are three shorter (2.65 Å) and three longer (2.67 Å) Pt–Pt bond lengths.

Publication Date:
Other Number(s):
mp-1077534
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; PaPt5; Pa-Pt
OSTI Identifier:
1652081
DOI:
https://doi.org/10.17188/1652081

Citation Formats

The Materials Project. Materials Data on PaPt5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652081.
The Materials Project. Materials Data on PaPt5 by Materials Project. United States. doi:https://doi.org/10.17188/1652081
The Materials Project. 2020. "Materials Data on PaPt5 by Materials Project". United States. doi:https://doi.org/10.17188/1652081. https://www.osti.gov/servlets/purl/1652081. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1652081,
title = {Materials Data on PaPt5 by Materials Project},
author = {The Materials Project},
abstractNote = {PaPt5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Pa3+ is bonded in a 12-coordinate geometry to sixteen Pt+0.60- atoms. There are twelve shorter (3.12 Å) and four longer (3.26 Å) Pa–Pt bond lengths. There are two inequivalent Pt+0.60- sites. In the first Pt+0.60- site, Pt+0.60- is bonded to four equivalent Pa3+ and twelve equivalent Pt+0.60- atoms to form distorted PtPa4Pt12 tetrahedra that share corners with twelve equivalent PtPa3Pt9 cuboctahedra, faces with twenty-eight equivalent PtPa3Pt9 cuboctahedra, and faces with twelve equivalent PtPa4Pt12 tetrahedra. All Pt–Pt bond lengths are 3.12 Å. In the second Pt+0.60- site, Pt+0.60- is bonded to three equivalent Pa3+ and nine Pt+0.60- atoms to form distorted PtPa3Pt9 cuboctahedra that share corners with eighteen equivalent PtPa3Pt9 cuboctahedra, corners with three equivalent PtPa4Pt12 tetrahedra, edges with six equivalent PtPa3Pt9 cuboctahedra, faces with eighteen equivalent PtPa3Pt9 cuboctahedra, and faces with seven equivalent PtPa4Pt12 tetrahedra. There are three shorter (2.65 Å) and three longer (2.67 Å) Pt–Pt bond lengths.},
doi = {10.17188/1652081},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}