Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 5 (May 2013)

inorganic compounds

Acta Cryst. (2013). C69, 455-459    [ doi:10.1107/S010827011300766X ]

Ternary K2Zn5As4-type pnictides Rb2Cd5As4 and Rb2Zn5Sb4, and the solid solution Rb2Cd5(As,Sb)4

H. He, S. S. Stoyko, A. Mar and S. Bobev

Abstract: Dirubidium pentacadmium tetraarsenide, Rb2Cd5As4, dirubidium pentazinc tetraantimonide, Rb2Zn5Sb4, and the solid-solution phase dirubidium pentacadmium tetra(arsenide/antimonide), Rb2Cd5(As,Sb)4 [or Rb2Cd5As3.00(1)Sb1.00(1)], have been prepared by direct reaction of the component elements at high temperature. These compounds are charge-balanced Zintl phases and adopt the orthorhombic K2Zn5As4-type structure (Pearson symbol oC44), featuring a three-dimensional [M5Pn4]2- framework [M = Zn or Cd; Pn is a pnicogen or Group 15 (Group V) element] built of linked MPn4 tetrahedra, and large channels extending along the b axis which host Rb+ cations. The As and Sb atoms in Rb2Cd5(As,Sb)4 are randomly disordered over the two available pnicogen sites. Band-structure calculations predict that Rb2Cd5As4 is a small-band-gap semiconductor and Rb2Zn5Sb4 is a semimetal.

Formula: Rb2Cd5As4, Rb2Zn5Sb4 and Rb2Cd5(As,Sb)4

hkldisplay filedownload file

Structure factor file (CIF format) (37.8 kbytes)
[ doi:10.1107/S010827011300766X/ov3027Isup2.hkl ]
Contains datablock I

hkldisplay filedownload file

Structure factor file (CIF format) (39.9 kbytes)
[ doi:10.1107/S010827011300766X/ov3027IIsup3.hkl ]
Contains datablock II

hkldisplay filedownload file

Structure factor file (CIF format) (38.5 kbytes)
[ doi:10.1107/S010827011300766X/ov3027IIIsup4.hkl ]
Contains datablock III


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