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Title: Materials Data on Ho12InPt7 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1205433· OSTI ID:1205433

Ho12Pt7In crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to five Pt and one In atom. There are a spread of Ho–Pt bond distances ranging from 2.90–3.23 Å. The Ho–In bond length is 3.30 Å. In the second Ho site, Ho is bonded in a 3-coordinate geometry to five Pt atoms. There are a spread of Ho–Pt bond distances ranging from 2.78–3.58 Å. In the third Ho site, Ho is bonded to four Pt atoms to form distorted edge-sharing HoPt4 trigonal pyramids. There are two shorter (2.85 Å) and two longer (2.93 Å) Ho–Pt bond lengths. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to eight Ho atoms. In the second Pt site, Pt is bonded in a 9-coordinate geometry to nine Ho atoms. In the third Pt site, Pt is bonded in a 8-coordinate geometry to eight equivalent Ho atoms. In is bonded in a body-centered cubic geometry to eight equivalent Ho 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:
1205433
Report Number(s):
mp-31109
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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