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

Dataset ·
DOI:https://doi.org/10.17188/1191014· OSTI ID:1191014

Sr(IrP)2 crystallizes in the trigonal P3_221 space group. The structure is three-dimensional. Sr is bonded in a 11-coordinate geometry to five Ir and six equivalent P atoms. There are one shorter (3.20 Å) and four longer (3.37 Å) Sr–Ir bond lengths. There are a spread of Sr–P bond distances ranging from 3.11–3.18 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to three equivalent Sr and four equivalent P atoms. There are two shorter (2.34 Å) and two longer (2.42 Å) Ir–P bond lengths. In the second Ir site, Ir is bonded in a 6-coordinate geometry to two equivalent Sr and four equivalent P atoms. There are two shorter (2.29 Å) and two longer (2.34 Å) Ir–P bond lengths. P is bonded to three equivalent Sr and four Ir atoms to form a mixture of distorted corner, edge, and face-sharing PSr3Ir4 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:
1191014
Report Number(s):
mp-15074
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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