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Materials Data on Pr5(In2Pt)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1740861· OSTI ID:1740861
Pr5(PtIn2)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to two equivalent Pt and six In atoms. Both Pr–Pt bond lengths are 2.95 Å. There are a spread of Pr–In bond distances ranging from 3.35–3.59 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to four equivalent Pt and six In atoms. There are two shorter (3.04 Å) and two longer (3.11 Å) Pr–Pt bond lengths. There are a spread of Pr–In bond distances ranging from 3.46–3.54 Å. In the third Pr site, Pr is bonded in a distorted body-centered cubic geometry to eight In atoms. There are four shorter (3.38 Å) and four longer (3.51 Å) Pr–In bond lengths. Pt is bonded in a 8-coordinate geometry to six Pr and two In atoms. There are one shorter (2.96 Å) and one longer (3.12 Å) Pt–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 1-coordinate geometry to eight Pr and one Pt atom. In the second In site, In is bonded in a 9-coordinate geometry to eight Pr and one Pt atom.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1740861
Report Number(s):
mp-1209726
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
In-Pr-Pt
Pr5(In2Pt)2
crystal structure