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Title: Materials Data on SbPt3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1686501· OSTI ID:1686501

Pt3Sb crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are three inequivalent Pt+0.67+ sites. In the first Pt+0.67+ site, Pt+0.67+ is bonded in a square co-planar geometry to four equivalent Sb2- atoms. All Pt–Sb bond lengths are 2.86 Å. In the second Pt+0.67+ site, Pt+0.67+ is bonded in a square co-planar geometry to four equivalent Sb2- atoms. All Pt–Sb bond lengths are 3.08 Å. In the third Pt+0.67+ site, Pt+0.67+ is bonded to four equivalent Sb2- atoms to form a mixture of distorted corner and edge-sharing PtSb4 tetrahedra. All Pt–Sb bond lengths are 2.81 Å. Sb2- is bonded to twelve Pt+0.67+ atoms to form a mixture of distorted corner, edge, and face-sharing SbPt12 cuboctahedra.

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:
1686501
Report Number(s):
mp-1078755
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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