PtNi3Al4 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. Pt(1) is bonded in a body-centered cubic geometry to eight equivalent Al(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a body-centered cubic geometry to four equivalent Al(1) and four equivalent Al(2) atoms. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to eight equivalent Al(2) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a body-centered cubic geometry to four equivalent Pt(1) and four equivalent Ni(1) atoms. In the second Al site, Al(2) is bonded in a body-centered cubic geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms.
PtNi3Al4 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. Pt(1) is bonded in a body-centered cubic geometry to eight equivalent Al(1) atoms. All Pt(1)-Al(1) bond lengths are 2.67 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a body-centered cubic geometry to four equivalent Al(1) and four equivalent Al(2) atoms. All Ni(1)-Al(1) bond lengths are 2.51 Å. All Ni(1)-Al(2) bond lengths are 2.50 Å. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to eight equivalent Al(2) atoms. All Ni(2)-Al(2) bond lengths are 2.50 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a body-centered cubic geometry to four equivalent Pt(1) and four equivalent Ni(1) atoms. In the second Al site, Al(2) is bonded in a body-centered cubic geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms.