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Title: Materials Data on Eu3B2Pt7 by Materials Project

Abstract

Eu3Pt7B2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Eu+2.67+ sites. In the first Eu+2.67+ site, Eu+2.67+ is bonded in a 12-coordinate geometry to twelve Pt2- atoms. There are a spread of Eu–Pt bond distances ranging from 3.29–3.36 Å. In the second Eu+2.67+ site, Eu+2.67+ is bonded to twelve equivalent Pt2- atoms to form EuPt12 cuboctahedra that share edges with six equivalent EuPt12 cuboctahedra, edges with six equivalent PtEu6Pt6 cuboctahedra, and faces with six equivalent BPt6 pentagonal pyramids. All Eu–Pt bond lengths are 3.20 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted L-shaped geometry to five Eu+2.67+, one Pt2-, and two equivalent B3+ atoms. The Pt–Pt bond length is 2.86 Å. There are one shorter (2.20 Å) and one longer (2.25 Å) Pt–B bond lengths. In the second Pt2- site, Pt2- is bonded to six equivalent Eu+2.67+ and six equivalent Pt2- atoms to form PtEu6Pt6 cuboctahedra that share corners with six equivalent BPt6 pentagonal pyramids, edges with six equivalent EuPt12 cuboctahedra, edges with six equivalent PtEu6Pt6 cuboctahedra, and faces with two equivalent BPt6 pentagonal pyramids. B3+ is bonded to six equivalent Pt2- atomsmore » to form distorted BPt6 pentagonal pyramids that share corners with three equivalent PtEu6Pt6 cuboctahedra, edges with three equivalent BPt6 pentagonal pyramids, a faceface with one PtEu6Pt6 cuboctahedra, and faces with three equivalent EuPt12 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1102298
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; Eu3B2Pt7; B-Eu-Pt
OSTI Identifier:
1758266
DOI:
https://doi.org/10.17188/1758266

Citation Formats

The Materials Project. Materials Data on Eu3B2Pt7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758266.
The Materials Project. Materials Data on Eu3B2Pt7 by Materials Project. United States. doi:https://doi.org/10.17188/1758266
The Materials Project. 2020. "Materials Data on Eu3B2Pt7 by Materials Project". United States. doi:https://doi.org/10.17188/1758266. https://www.osti.gov/servlets/purl/1758266. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758266,
title = {Materials Data on Eu3B2Pt7 by Materials Project},
author = {The Materials Project},
abstractNote = {Eu3Pt7B2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Eu+2.67+ sites. In the first Eu+2.67+ site, Eu+2.67+ is bonded in a 12-coordinate geometry to twelve Pt2- atoms. There are a spread of Eu–Pt bond distances ranging from 3.29–3.36 Å. In the second Eu+2.67+ site, Eu+2.67+ is bonded to twelve equivalent Pt2- atoms to form EuPt12 cuboctahedra that share edges with six equivalent EuPt12 cuboctahedra, edges with six equivalent PtEu6Pt6 cuboctahedra, and faces with six equivalent BPt6 pentagonal pyramids. All Eu–Pt bond lengths are 3.20 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted L-shaped geometry to five Eu+2.67+, one Pt2-, and two equivalent B3+ atoms. The Pt–Pt bond length is 2.86 Å. There are one shorter (2.20 Å) and one longer (2.25 Å) Pt–B bond lengths. In the second Pt2- site, Pt2- is bonded to six equivalent Eu+2.67+ and six equivalent Pt2- atoms to form PtEu6Pt6 cuboctahedra that share corners with six equivalent BPt6 pentagonal pyramids, edges with six equivalent EuPt12 cuboctahedra, edges with six equivalent PtEu6Pt6 cuboctahedra, and faces with two equivalent BPt6 pentagonal pyramids. B3+ is bonded to six equivalent Pt2- atoms to form distorted BPt6 pentagonal pyramids that share corners with three equivalent PtEu6Pt6 cuboctahedra, edges with three equivalent BPt6 pentagonal pyramids, a faceface with one PtEu6Pt6 cuboctahedra, and faces with three equivalent EuPt12 cuboctahedra.},
doi = {10.17188/1758266},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}