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Title: Materials Data on SrIn4Ir by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1197240· OSTI ID:1197240

SrIrIn4 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Sr is bonded in a 1-coordinate geometry to one Ir and twelve In atoms. The Sr–Ir bond length is 3.23 Å. There are a spread of Sr–In bond distances ranging from 3.43–3.77 Å. Ir is bonded in a 9-coordinate geometry to one Sr and eight In atoms. There are a spread of Ir–In bond distances ranging from 2.63–2.92 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to four equivalent Sr, two equivalent Ir, and six In atoms. There are a spread of In–In bond distances ranging from 3.20–3.40 Å. In the second In site, In is bonded in a distorted rectangular see-saw-like geometry to two equivalent Sr, two equivalent Ir, and four equivalent In atoms. In the third In site, In is bonded in a linear geometry to two equivalent Sr, two equivalent Ir, and four equivalent In 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:
1197240
Report Number(s):
mp-21901
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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