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Title: Materials Data on Tm4(Al8Pt3)3 by Materials Project

Abstract

Tm4(Pt3Al8)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 9-coordinate geometry to six Pt and eleven Al atoms. There are a spread of Tm–Pt bond distances ranging from 3.27–3.54 Å. There are a spread of Tm–Al bond distances ranging from 3.06–3.23 Å. In the second Tm site, Tm is bonded in a 9-coordinate geometry to six Pt and eleven Al atoms. There are a spread of Tm–Pt bond distances ranging from 3.27–3.55 Å. There are a spread of Tm–Al bond distances ranging from 3.07–3.22 Å. There are five inequivalent Pt sites. In the first Pt site, Pt is bonded in a 8-coordinate geometry to two Tm and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.51–2.74 Å. In the second Pt site, Pt is bonded in a 8-coordinate geometry to two Tm and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.52–2.75 Å. In the third Pt site, Pt is bonded in a 8-coordinate geometry to four Tm and eight Al atoms. There are a spread of Pt–Al bond distances rangingmore » from 2.58–2.60 Å. In the fourth Pt site, Pt is bonded in a 10-coordinate geometry to two Tm and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.51–2.76 Å. In the fifth Pt site, Pt is bonded in a 8-coordinate geometry to four Tm and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.54–2.63 Å. There are twelve inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three Tm and three Pt atoms. In the second Al site, Al is bonded to four Pt atoms to form distorted AlPt4 tetrahedra that share corners with six AlTmPt4 tetrahedra and edges with three AlPt4 tetrahedra. In the third Al site, Al is bonded to one Tm and four Pt atoms to form a mixture of distorted edge and corner-sharing AlTmPt4 tetrahedra. In the fourth Al site, Al is bonded in a 3-coordinate geometry to two Tm and three Pt atoms. In the fifth Al site, Al is bonded in a 3-coordinate geometry to two Tm and three Pt atoms. In the sixth Al site, Al is bonded in a 3-coordinate geometry to two Tm and three Pt atoms. In the seventh Al site, Al is bonded in a 3-coordinate geometry to three Tm and three Pt atoms. In the eighth Al site, Al is bonded in a 3-coordinate geometry to two Tm and three Pt atoms. In the ninth Al site, Al is bonded to one Tm and four Pt atoms to form a mixture of distorted edge and corner-sharing AlTmPt4 tetrahedra. In the tenth Al site, Al is bonded in a 2-coordinate geometry to two Tm and two Pt atoms. In the eleventh Al site, Al is bonded in a 2-coordinate geometry to two Tm and two Pt atoms. In the twelfth Al site, Al is bonded in a 2-coordinate geometry to two Tm and two Pt atoms.« less

Publication Date:
Other Number(s):
mp-1207999
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; Tm4(Al8Pt3)3; Al-Pt-Tm
OSTI Identifier:
1711757
DOI:
10.17188/1711757

Citation Formats

The Materials Project. Materials Data on Tm4(Al8Pt3)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1711757.
The Materials Project. Materials Data on Tm4(Al8Pt3)3 by Materials Project. United States. doi:10.17188/1711757.
The Materials Project. 2019. "Materials Data on Tm4(Al8Pt3)3 by Materials Project". United States. doi:10.17188/1711757. https://www.osti.gov/servlets/purl/1711757. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1711757,
title = {Materials Data on Tm4(Al8Pt3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm4(Pt3Al8)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 9-coordinate geometry to six Pt and eleven Al atoms. There are a spread of Tm–Pt bond distances ranging from 3.27–3.54 Å. There are a spread of Tm–Al bond distances ranging from 3.06–3.23 Å. In the second Tm site, Tm is bonded in a 9-coordinate geometry to six Pt and eleven Al atoms. There are a spread of Tm–Pt bond distances ranging from 3.27–3.55 Å. There are a spread of Tm–Al bond distances ranging from 3.07–3.22 Å. There are five inequivalent Pt sites. In the first Pt site, Pt is bonded in a 8-coordinate geometry to two Tm and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.51–2.74 Å. In the second Pt site, Pt is bonded in a 8-coordinate geometry to two Tm and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.52–2.75 Å. In the third Pt site, Pt is bonded in a 8-coordinate geometry to four Tm and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.58–2.60 Å. In the fourth Pt site, Pt is bonded in a 10-coordinate geometry to two Tm and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.51–2.76 Å. In the fifth Pt site, Pt is bonded in a 8-coordinate geometry to four Tm and eight Al atoms. There are a spread of Pt–Al bond distances ranging from 2.54–2.63 Å. There are twelve inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three Tm and three Pt atoms. In the second Al site, Al is bonded to four Pt atoms to form distorted AlPt4 tetrahedra that share corners with six AlTmPt4 tetrahedra and edges with three AlPt4 tetrahedra. In the third Al site, Al is bonded to one Tm and four Pt atoms to form a mixture of distorted edge and corner-sharing AlTmPt4 tetrahedra. In the fourth Al site, Al is bonded in a 3-coordinate geometry to two Tm and three Pt atoms. In the fifth Al site, Al is bonded in a 3-coordinate geometry to two Tm and three Pt atoms. In the sixth Al site, Al is bonded in a 3-coordinate geometry to two Tm and three Pt atoms. In the seventh Al site, Al is bonded in a 3-coordinate geometry to three Tm and three Pt atoms. In the eighth Al site, Al is bonded in a 3-coordinate geometry to two Tm and three Pt atoms. In the ninth Al site, Al is bonded to one Tm and four Pt atoms to form a mixture of distorted edge and corner-sharing AlTmPt4 tetrahedra. In the tenth Al site, Al is bonded in a 2-coordinate geometry to two Tm and two Pt atoms. In the eleventh Al site, Al is bonded in a 2-coordinate geometry to two Tm and two Pt atoms. In the twelfth Al site, Al is bonded in a 2-coordinate geometry to two Tm and two Pt atoms.},
doi = {10.17188/1711757},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}

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