Novel superstructure in the high-concentrated hydrogen solid solutions ZrV2Dx>4

Abstract A novel hydrogen superstructure with k  = 0 is found to form in the hydrogen solid solutions ZrV 2 D x in the concentration range 4  x a  = 5.517 A, c  = 7.921 A for ZrV 2 D 4.32 at T  = 10 K) and belongs to the space group I 4 1 / a . Four hydrogen atoms are arranged just as in the known superstructure ZrV 2 D x , in the 2Zr + 2V tetrahedral interstices. The surplus hydrogen atoms, exceeding x  = 4, locate in the uncommon 4V tetrahedral interstices. Distances between all hydrogen atoms exceed 2 A.