Etude cristallographique de l'arsénotellurure de zirconium quadratique

Single crystals of zirconium arsenotelluride (PbFCl type) have been prepared by direct synthesis from the elements. Chemical analysis gives: $\text{As}\text{Zr}\text{= 1.43 ± 0.02}$ and $\text{Te}\text{Zr}\text{= 0.46 ± 0.01}$, in atoms. Lattice constants are: a = 3.82 ± 0.01 Å and c = 8.17 ± 0.02Å. Experimental density is equal to 7.14 ± 0.05. Unit cell thus contains Zr_2.00As_2.86Te_0.92. The structure has been solved with 227 reflections of a single crystal recorded at room temperature. The final R factor is 0.081, excluding zero reflections. Part of the arsenic atoms fills a site and the remainder is located in a second site, the occupation of which is completed by a part of zirconium atoms. The third site is occupied, but not filled, by the tellurium atoms and the remainder of zirconium atoms.