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Title: Materials Data on Dy2In16Pt7 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1262820· OSTI ID:1262820

Dy2Pt7In16 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Dy is bonded in a 4-coordinate geometry to four equivalent Pt and ten In atoms. All Dy–Pt bond lengths are 3.18 Å. There are a spread of Dy–In bond distances ranging from 3.29–3.41 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a body-centered cubic geometry to eight In atoms. There are four shorter (2.76 Å) and four longer (2.81 Å) Pt–In bond lengths. In the second Pt site, Pt is bonded in a body-centered cubic geometry to eight In atoms. There are a spread of Pt–In bond distances ranging from 2.77–2.79 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Dy and seven In atoms. There are a spread of Pt–In bond distances ranging from 2.78–2.93 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Dy and four Pt atoms. In the second In site, In is bonded to one Dy and four Pt atoms to form a mixture of distorted edge and corner-sharing InDyPt4 tetrahedra. In the third In site, In is bonded in a distorted trigonal non-coplanar geometry to three Pt atoms. In the fourth In site, In is bonded in a 3-coordinate geometry to one Dy and three Pt atoms. In the fifth In site, In is bonded in a 2-coordinate geometry to four equivalent Dy and two equivalent Pt atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1262820
Report Number(s):
mp-510050
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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