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Materials Data on In2Pt3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1262927· OSTI ID:1262927
Pt3In2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 5-coordinate geometry to six Pt2- and five In3+ atoms. There are a spread of Pt–Pt bond distances ranging from 2.82–2.98 Å. There are a spread of Pt–In bond distances ranging from 2.77–2.96 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to six equivalent Pt2- and five In3+ atoms. There are a spread of Pt–In bond distances ranging from 2.77–2.96 Å. There are three inequivalent In3+ sites. In the first In3+ site, In3+ is bonded in a 6-coordinate geometry to six Pt2- atoms. In the second In3+ site, In3+ is bonded in a 6-coordinate geometry to six Pt2- atoms. In the third In3+ site, In3+ is bonded in a distorted q6 geometry to nine Pt2- 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:
1262927
Report Number(s):
mp-510439
Country of Publication:
United States
Language:
English

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