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Materials Data on SrIn4Pt by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1196398· OSTI ID:1196398
SrPtIn4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr is bonded in a 5-coordinate geometry to two equivalent Pt and thirteen In atoms. Both Sr–Pt bond lengths are 3.47 Å. There are a spread of Sr–In bond distances ranging from 3.34–3.94 Å. Pt is bonded in a 9-coordinate geometry to two equivalent Sr and seven In atoms. There are a spread of Pt–In bond distances ranging from 2.72–2.85 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Sr, three equivalent Pt, and one In atom. The In–In bond length is 3.22 Å. In the second In site, In is bonded in a distorted q6 geometry to four equivalent Sr and six In atoms. All In–In bond lengths are 3.21 Å. In the third In site, In is bonded in a 2-coordinate geometry to three equivalent Sr, one Pt, and four equivalent In atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1196398
Report Number(s):
mp-21124
Country of Publication:
United States
Language:
English

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