Phases in the Al–Yb–Zn system between 25 and 50 at% ytterbium

Phases YbZn1−x Alx , YbZn2−x Alx and YbZn3−x Alx were studied by electron microprobe analysis and X-ray single crystal and powder methods. The compound YbZn0.8Al0.2 crystallizes with the CsCl-type, a =3.635(2) Å. Four phases were investigated by single crystal X-ray diffraction: YbZn0.996(6)Al1.004(6), MgNi2-type, P 63/mmc , a =5.573(1), c =18.051(3) Å, Z =8, wR 2=0.040 and YbZn0.88(3)Al1.12(3), MgCu2-type, View the MathML sourceFd3¯m, a =7.860(2) Å, Z =8, wR 2=0.060, both showing mixed Zn/Al occupancy; YbZn2.50(1)Al0.50(1), CeNi3-type, P 63/mmc , a =5.496(1), c =17.336(2) Å, Z =6, wR 2=0.036 and YbZn1.92(2)Al1.08(2), PuNi3- or NbBe3-type, View the MathML sourceR3¯m, a=5.499(1), c=26.134(5) Å, Z=9, wR2=0.053, where the zinc atoms are ordered in the CaCu5 segment, while share the sites with aluminium in the Laves phase segment. In the pseudobinary section YbZn2−xAlx four structures occur in sequence with increasing the electron concentration: CeCu2 or KHg2 (x=0–0.3), MgZn2 (x=0.33–0.54), MgNi2 (x=0.68–1.01) and MgCu2 (x=1.12–2). This sequence agrees with the results of first-principles calculations, already reported in the literature for other similar series. In the YbZn3−xAlx section CeNi3-type compounds occur with x=0.40–0.88 followed by PuNi3-type compounds with x=0.92–1.10. The stability ranges of these phases are related to the valence electron concentration.