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Title: Materials Data on Sm2(PPt2)3 by Materials Project

Abstract

Sm2(Pt2P)3 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sm+2.50+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. There are a spread of Sm–Pt bond distances ranging from 3.12–3.39 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Sm+2.50+, eight Pt2-, and two equivalent P+2.33+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.92–3.01 Å. Both Pt–P bond lengths are 2.41 Å. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Sm+2.50+, six equivalent Pt2-, and two equivalent P+2.33+ atoms. Both Pt–P bond lengths are 2.37 Å. In the third Pt2- site, Pt2- is bonded in a 3-coordinate geometry to five equivalent Sm+2.50+ and three P+2.33+ atoms. All Pt–P bond lengths are 2.35 Å. There are two inequivalent P+2.33+ sites. In the first P+2.33+ site, P+2.33+ is bonded in a 5-coordinate geometry to five Pt2- atoms. In the second P+2.33+ site, P+2.33+ is bonded to four equivalent Pt2- atoms to form corner-sharing PPt4 tetrahedra.

Publication Date:
Other Number(s):
mp-570141
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; Sm2(PPt2)3; P-Pt-Sm
OSTI Identifier:
1275538
DOI:
10.17188/1275538

Citation Formats

The Materials Project. Materials Data on Sm2(PPt2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275538.
The Materials Project. Materials Data on Sm2(PPt2)3 by Materials Project. United States. doi:10.17188/1275538.
The Materials Project. 2020. "Materials Data on Sm2(PPt2)3 by Materials Project". United States. doi:10.17188/1275538. https://www.osti.gov/servlets/purl/1275538. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1275538,
title = {Materials Data on Sm2(PPt2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm2(Pt2P)3 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sm+2.50+ is bonded in a 9-coordinate geometry to nine Pt2- atoms. There are a spread of Sm–Pt bond distances ranging from 3.12–3.39 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Sm+2.50+, eight Pt2-, and two equivalent P+2.33+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.92–3.01 Å. Both Pt–P bond lengths are 2.41 Å. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to two equivalent Sm+2.50+, six equivalent Pt2-, and two equivalent P+2.33+ atoms. Both Pt–P bond lengths are 2.37 Å. In the third Pt2- site, Pt2- is bonded in a 3-coordinate geometry to five equivalent Sm+2.50+ and three P+2.33+ atoms. All Pt–P bond lengths are 2.35 Å. There are two inequivalent P+2.33+ sites. In the first P+2.33+ site, P+2.33+ is bonded in a 5-coordinate geometry to five Pt2- atoms. In the second P+2.33+ site, P+2.33+ is bonded to four equivalent Pt2- atoms to form corner-sharing PPt4 tetrahedra.},
doi = {10.17188/1275538},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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