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Title: Materials Data on MnSbPt by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1281863· OSTI ID:1281863

PtMnSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn3+ is bonded in a body-centered cubic geometry to four equivalent Pt2- and four equivalent Sb1- atoms. All Mn–Pt bond lengths are 2.66 Å. All Mn–Sb bond lengths are 2.66 Å. Pt2- is bonded to four equivalent Mn3+ and six equivalent Sb1- atoms to form distorted PtMn4Sb6 tetrahedra that share corners with four equivalent SbMn4Pt6 tetrahedra, corners with six equivalent PtMn4Sb6 tetrahedra, edges with six equivalent SbMn4Pt6 tetrahedra, and faces with twelve equivalent PtMn4Sb6 tetrahedra. All Pt–Sb bond lengths are 3.07 Å. Sb1- is bonded to four equivalent Mn3+ and six equivalent Pt2- atoms to form distorted SbMn4Pt6 tetrahedra that share corners with four equivalent PtMn4Sb6 tetrahedra, corners with six equivalent SbMn4Pt6 tetrahedra, edges with six equivalent PtMn4Sb6 tetrahedra, and faces with twelve equivalent SbMn4Pt6 tetrahedra.

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:
1281863
Report Number(s):
mp-672356
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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