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Title: Materials Data on Eu(PIr)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1196835· OSTI ID:1196835

Eu(IrP)2 crystallizes in the trigonal P3_221 space group. The structure is three-dimensional. Eu is bonded in a 11-coordinate geometry to five Ir and six equivalent P atoms. There are a spread of Eu–Ir bond distances ranging from 3.18–3.35 Å. There are a spread of Eu–P bond distances ranging from 3.06–3.18 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Eu and four equivalent P atoms. There are two shorter (2.35 Å) and two longer (2.40 Å) Ir–P bond lengths. In the second Ir site, Ir is bonded in a 6-coordinate geometry to two equivalent Eu and four equivalent P atoms. There are two shorter (2.27 Å) and two longer (2.33 Å) Ir–P bond lengths. P is bonded to three equivalent Eu and four Ir atoms to form a mixture of distorted face, edge, and corner-sharing PEu3Ir4 pentagonal bipyramids.

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:
1196835
Report Number(s):
mp-21386
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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