Materials Data on ZrPt3 by Materials Project
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Pt3Zr is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Zr2+ sites. In the first Zr2+ site, Zr2+ is bonded to twelve Pt+0.67- atoms to form a mixture of face and corner-sharing ZrPt12 cuboctahedra. There are six shorter (2.87 Å) and six longer (2.89 Å) Zr–Pt bond lengths. In the second Zr2+ site, Zr2+ is bonded to twelve Pt+0.67- atoms to form a mixture of face and corner-sharing ZrPt12 cuboctahedra. All Zr–Pt bond lengths are 2.87 Å. There are two inequivalent Pt+0.67- sites. In the first Pt+0.67- site, Pt+0.67- is bonded in a distorted see-saw-like geometry to four Zr2+ atoms. In the second Pt+0.67- site, Pt+0.67- is bonded in a distorted square co-planar geometry to four Zr2+ atoms.
