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Title: Materials Data on InPt by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1262926· OSTI ID:1262926

PtIn crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to six In2+ atoms to form distorted edge-sharing PtIn6 octahedra. There are four shorter (2.82 Å) and two longer (2.83 Å) Pt–In bond lengths. In the second Pt2- site, Pt2- is bonded in a 11-coordinate geometry to seven In2+ atoms. There are a spread of Pt–In bond distances ranging from 2.70–3.24 Å. In the third Pt2- site, Pt2- is bonded in a 7-coordinate geometry to seven In2+ atoms. There are a spread of Pt–In bond distances ranging from 2.81–2.99 Å. There are three inequivalent In2+ sites. In the first In2+ site, In2+ is bonded in a distorted hexagonal planar geometry to six Pt2- atoms. In the second In2+ site, In2+ is bonded in a distorted hexagonal planar geometry to six Pt2- atoms. In the third In2+ site, In2+ is bonded in a 8-coordinate geometry to eight Pt2- 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:
1262926
Report Number(s):
mp-510438
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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