Na2PdH4 crystallizes in the tetragonal I4/mmm space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a body-centered cubic geometry to eight equivalent H(1) atoms. In the second Na site, Na(1) is bonded in a body-centered cubic geometry to eight equivalent H(1) atoms. In the third Na site, Na(1) is bonded in a body-centered cubic geometry to eight equivalent H(1) atoms. In the fourth Na site, Na(1) is bonded in a body-centered cubic geometry to eight equivalent H(1) atoms. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a square co-planar geometry to four equivalent H(1) atoms. In the second Pd site, Pd(1) is bonded in a square co-planar geometry to four equivalent H(1) atoms. H(1) is bonded to four Na(1,1,1,1) and one Pd(1) atom to form a mixture of corner, face, and edge-sharing HNa4Pd square pyramids.
Na2PdH4 crystallizes in the tetragonal I4/mmm space group. There are four inequivalent Na sites. In the first Na site, Na(1) is bonded in a body-centered cubic geometry to eight equivalent H(1) atoms. All Na(1)-H(1) bond lengths are 2.48 Å. In the second Na site, Na(1) is bonded in a body-centered cubic geometry to eight equivalent H(1) atoms. All Na(1)-H(1) bond lengths are 2.48 Å. In the third Na site, Na(1) is bonded in a body-centered cubic geometry to eight equivalent H(1) atoms. All Na(1)-H(1) bond lengths are 2.48 Å. In the fourth Na site, Na(1) is bonded in a body-centered cubic geometry to eight equivalent H(1) atoms. All Na(1)-H(1) bond lengths are 2.48 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a square co-planar geometry to four equivalent H(1) atoms. All Pd(1)-H(1) bond lengths are 1.64 Å. In the second Pd site, Pd(1) is bonded in a square co-planar geometry to four equivalent H(1) atoms. All Pd(1)-H(1) bond lengths are 1.64 Å. H(1) is bonded to four Na(1,1,1,1) and one Pd(1) atom to form a mixture of corner, face, and edge-sharing HNa4Pd square pyramids.