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Title: Materials Data on Tm4(Al8Pd3)3 by Materials Project

Abstract

Tm4(Pd3Al8)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 12-coordinate geometry to six Pd and eleven Al atoms. There are a spread of Tm–Pd bond distances ranging from 3.30–3.55 Å. There are a spread of Tm–Al bond distances ranging from 3.08–3.26 Å. In the second Tm site, Tm is bonded in a 12-coordinate geometry to six Pd and eleven Al atoms. There are a spread of Tm–Pd bond distances ranging from 3.30–3.55 Å. There are a spread of Tm–Al bond distances ranging from 3.07–3.25 Å. There are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to two Tm and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.53–2.75 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to two Tm and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.53–2.76 Å. In the third Pd site, Pd is bonded in a 8-coordinate geometry to four Tm and eight Al atoms. There are a spread of Pd–Al bond distances rangingmore » from 2.59–2.61 Å. In the fourth Pd site, Pd is bonded in a 10-coordinate geometry to two Tm and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.53–2.77 Å. In the fifth Pd site, Pd is bonded in a 8-coordinate geometry to four Tm and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.55–2.64 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 Pd atoms. In the second Al site, Al is bonded to four Pd atoms to form distorted AlPd4 tetrahedra that share corners with six AlTmPd4 tetrahedra and edges with three AlPd4 tetrahedra. In the third Al site, Al is bonded to one Tm and four Pd atoms to form a mixture of distorted corner and edge-sharing AlTmPd4 tetrahedra. In the fourth Al site, Al is bonded in a 3-coordinate geometry to two Tm and three Pd atoms. In the fifth Al site, Al is bonded in a 3-coordinate geometry to two Tm and three Pd atoms. In the sixth Al site, Al is bonded in a 3-coordinate geometry to two Tm and three Pd atoms. In the seventh Al site, Al is bonded in a 3-coordinate geometry to three Tm and three Pd atoms. In the eighth Al site, Al is bonded in a 3-coordinate geometry to two Tm and three Pd atoms. In the ninth Al site, Al is bonded to one Tm and four Pd atoms to form a mixture of distorted corner and edge-sharing AlTmPd4 tetrahedra. In the tenth Al site, Al is bonded in a 2-coordinate geometry to two Tm and two Pd atoms. In the eleventh Al site, Al is bonded in a 2-coordinate geometry to two Tm and two Pd atoms. In the twelfth Al site, Al is bonded in a 2-coordinate geometry to two Tm and two Pd atoms.« less

Publication Date:
Other Number(s):
mp-1208006
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(Al8Pd3)3; Al-Pd-Tm
OSTI Identifier:
1707858
DOI:
10.17188/1707858

Citation Formats

The Materials Project. Materials Data on Tm4(Al8Pd3)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1707858.
The Materials Project. Materials Data on Tm4(Al8Pd3)3 by Materials Project. United States. doi:10.17188/1707858.
The Materials Project. 2019. "Materials Data on Tm4(Al8Pd3)3 by Materials Project". United States. doi:10.17188/1707858. https://www.osti.gov/servlets/purl/1707858. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1707858,
title = {Materials Data on Tm4(Al8Pd3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm4(Pd3Al8)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 12-coordinate geometry to six Pd and eleven Al atoms. There are a spread of Tm–Pd bond distances ranging from 3.30–3.55 Å. There are a spread of Tm–Al bond distances ranging from 3.08–3.26 Å. In the second Tm site, Tm is bonded in a 12-coordinate geometry to six Pd and eleven Al atoms. There are a spread of Tm–Pd bond distances ranging from 3.30–3.55 Å. There are a spread of Tm–Al bond distances ranging from 3.07–3.25 Å. There are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to two Tm and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.53–2.75 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to two Tm and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.53–2.76 Å. In the third Pd site, Pd is bonded in a 8-coordinate geometry to four Tm and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.59–2.61 Å. In the fourth Pd site, Pd is bonded in a 10-coordinate geometry to two Tm and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.53–2.77 Å. In the fifth Pd site, Pd is bonded in a 8-coordinate geometry to four Tm and eight Al atoms. There are a spread of Pd–Al bond distances ranging from 2.55–2.64 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 Pd atoms. In the second Al site, Al is bonded to four Pd atoms to form distorted AlPd4 tetrahedra that share corners with six AlTmPd4 tetrahedra and edges with three AlPd4 tetrahedra. In the third Al site, Al is bonded to one Tm and four Pd atoms to form a mixture of distorted corner and edge-sharing AlTmPd4 tetrahedra. In the fourth Al site, Al is bonded in a 3-coordinate geometry to two Tm and three Pd atoms. In the fifth Al site, Al is bonded in a 3-coordinate geometry to two Tm and three Pd atoms. In the sixth Al site, Al is bonded in a 3-coordinate geometry to two Tm and three Pd atoms. In the seventh Al site, Al is bonded in a 3-coordinate geometry to three Tm and three Pd atoms. In the eighth Al site, Al is bonded in a 3-coordinate geometry to two Tm and three Pd atoms. In the ninth Al site, Al is bonded to one Tm and four Pd atoms to form a mixture of distorted corner and edge-sharing AlTmPd4 tetrahedra. In the tenth Al site, Al is bonded in a 2-coordinate geometry to two Tm and two Pd atoms. In the eleventh Al site, Al is bonded in a 2-coordinate geometry to two Tm and two Pd atoms. In the twelfth Al site, Al is bonded in a 2-coordinate geometry to two Tm and two Pd atoms.},
doi = {10.17188/1707858},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}

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