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Title: Materials Data on Eu2PI by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1275216· OSTI ID:1275216

Eu2PI is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Eu2+ is bonded to three equivalent P3- and three equivalent I1- atoms to form a mixture of edge and corner-sharing EuP3I3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Eu–P bond lengths are 2.96 Å. All Eu–I bond lengths are 3.45 Å. P3- is bonded to six equivalent Eu2+ atoms to form PEu6 octahedra that share corners with six equivalent IEu6 octahedra, edges with six equivalent PEu6 octahedra, and edges with six equivalent IEu6 octahedra. The corner-sharing octahedral tilt angles are 12°. I1- is bonded to six equivalent Eu2+ atoms to form distorted IEu6 octahedra that share corners with six equivalent PEu6 octahedra, edges with six equivalent PEu6 octahedra, and edges with six equivalent IEu6 octahedra. The corner-sharing octahedral tilt angles are 12°.

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:
1275216
Report Number(s):
mp-569689
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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