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Title: Materials Data on Ce12InPt7 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1279709· OSTI ID:1279709

Ce12Pt7In crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to five Pt and one In atom. There are a spread of Ce–Pt bond distances ranging from 2.93–3.33 Å. The Ce–In bond length is 3.35 Å. In the second Ce site, Ce is bonded in a distorted linear geometry to five Pt atoms. There are a spread of Ce–Pt bond distances ranging from 2.76–3.65 Å. In the third Ce site, Ce is bonded in a 4-coordinate geometry to four Pt atoms. There are two shorter (2.99 Å) and two longer (3.03 Å) Ce–Pt bond lengths. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 1-coordinate geometry to eight Ce atoms. In the second Pt site, Pt is bonded in a 9-coordinate geometry to nine Ce atoms. In the third Pt site, Pt is bonded in a 8-coordinate geometry to eight equivalent Ce atoms. In is bonded in a body-centered cubic geometry to eight equivalent Ce 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:
1279709
Report Number(s):
mp-637609
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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