Materials Data on UAs2Pd by Materials Project

Abstract

UPdAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are four shorter (2.92 Å) and four longer (3.01 Å) U–As bond lengths. Pd2+ is bonded to four equivalent As3- atoms to form a mixture of distorted edge and corner-sharing PdAs4 tetrahedra. All Pd–As bond lengths are 2.70 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent U4+ and four equivalent As3- atoms. All As–As bond lengths are 2.83 Å. In the second As3- site, As3- is bonded in a 4-coordinate geometry to four equivalent U4+ and four equivalent Pd2+ atoms.