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Title: Materials Data on ScPb3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1667272· OSTI ID:1667272

ScPb3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc is bonded to twelve Pb atoms to form a mixture of face, edge, and corner-sharing ScPb12 cuboctahedra. There are four shorter (3.21 Å) and eight longer (3.57 Å) Sc–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 12-coordinate geometry to four equivalent Sc and four equivalent Pb atoms. All Pb–Pb bond lengths are 3.21 Å. In the second Pb site, Pb is bonded in a square co-planar geometry to four equivalent Sc 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:
1667272
Report Number(s):
mp-1186990
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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