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Title: Materials Data on Pr12InPt7 by Materials Project

Abstract

Pr12Pt7In crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to five Pt and one In atom. There are a spread of Pr–Pt bond distances ranging from 3.00–3.45 Å. The Pr–In bond length is 3.41 Å. In the second Pr site, Pr is bonded in a 2-coordinate geometry to five Pt atoms. There are a spread of Pr–Pt bond distances ranging from 2.87–3.72 Å. In the third Pr site, Pr is bonded in a 4-coordinate geometry to four Pt atoms. There are two shorter (2.95 Å) and two longer (3.14 Å) Pr–Pt bond lengths. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to eight Pr atoms. In the second Pt site, Pt is bonded in a 6-coordinate geometry to nine Pr atoms. In the third Pt site, Pt is bonded in a 8-coordinate geometry to eight equivalent Pr atoms. In is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

Publication Date:
Other Number(s):
mp-31108
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; Pr12InPt7; In-Pr-Pt
OSTI Identifier:
1205432
DOI:
10.17188/1205432

Citation Formats

The Materials Project. Materials Data on Pr12InPt7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205432.
The Materials Project. Materials Data on Pr12InPt7 by Materials Project. United States. doi:10.17188/1205432.
The Materials Project. 2020. "Materials Data on Pr12InPt7 by Materials Project". United States. doi:10.17188/1205432. https://www.osti.gov/servlets/purl/1205432. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1205432,
title = {Materials Data on Pr12InPt7 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr12Pt7In crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to five Pt and one In atom. There are a spread of Pr–Pt bond distances ranging from 3.00–3.45 Å. The Pr–In bond length is 3.41 Å. In the second Pr site, Pr is bonded in a 2-coordinate geometry to five Pt atoms. There are a spread of Pr–Pt bond distances ranging from 2.87–3.72 Å. In the third Pr site, Pr is bonded in a 4-coordinate geometry to four Pt atoms. There are two shorter (2.95 Å) and two longer (3.14 Å) Pr–Pt bond lengths. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to eight Pr atoms. In the second Pt site, Pt is bonded in a 6-coordinate geometry to nine Pr atoms. In the third Pt site, Pt is bonded in a 8-coordinate geometry to eight equivalent Pr atoms. In is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.},
doi = {10.17188/1205432},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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