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Preparation and Crystal Structures of some Binary Pnictides of Scandium, Zirconium, and Hafnium: Sc5Bi3, ZrBi, α-HfSb, HfBi, HfBi2, and the Compound Zr5Bi3X1-x, Possibly Stabilized by an Impurity (X)

2001/08/01 by Martin Haase, Martin G. Haase, Helga Block +1 · 14 citations
Chemistry · Engineering · Physics and Astronomy · #Chemistry #Crystal structure #Crystallography #Hafnium #Hexagonal crystal system #Impurity #Inorganic Chemistry and Materials #Intermetallic #Intermetallics and Advanced Alloy Properties #Materials science #Metallurgy #Orthorhombic crystal system #Rare-earth and actinide compounds #Scandium #Zirconium

paper · pdf · doi:10.1002/1521-3749(200108)627:8<1941::aid-zaac1941>3.0.co;2-w

published in Zeitschrift für anorganische und allgemeine Chemie 627(8), 1941-1948 (Wiley)

openalex publication_date 2001/08/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/29

Abstract

The title compounds were prepared by reaction of the elemental components. Of these Sc5Bi3 is a new compound. Its orthorhombic β-Yb5Sb3 type crystal structure was determined from single-crystal X-ray data: Pnma, a = 1124.4(1) pm, b = 888.6(1) pm, c = 777.2(1) pm, R = 0.024 for 1140 structure factors and 44 variable parameters. For the other compounds we have established the crystal structures. ZrBi has ZrSb type structure with a noticeable homogeneity range. This structure type was also found for the low temperature (α) form of HfSb and for HfBi. For α-HfSb this structure was refined from single-crystal X-ray data: Cmcm, a = 377.07(4) pm, b = 1034.7(1) pm, c = 1388.7(1) pm, R = 0.043 for 432 F values and 22 variables. HfBi2 has TiAs2 type structure: Pnnm, a = 1014.2(2) pm, b = 1563.9(3) pm, c = 396.7(1) pm. The structure was refined from single-crystal data to a residual of R = 0.074 for 1038 F values and 40 variables. In addition, a zirconium bismuthide, possibly stabilized by light impurity elements X and crystallizing with the hexagonal Mo5Si3C1–x type structure, was observed: Zr5Bi3X1–x, a = 873.51(6) pm, c = 599.08(5) pm. The positions of the heavy atoms of this structure were refined from X-ray powder film data. Various aspects of impurity stabilization of intermetallics are discussed.

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