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Crystal Structure of the Ternary Compound ErRe0.25Ge2

Vitaliia Mykhalichko and Roman Gladyshevskii
Affiliation: 
Ivan Franko National University of Lviv, 6 Kyryla i Mefodiya St., 79005 Lviv, Ukraine; vitaliia.fedyna@gmail.com
DOI: 
https://doi.org/10.23939/chcht10.01.001
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Abstract: 
An alloy of nominal composition Er30.8Re7.7Ge61.5 was synthesized by arc melting and investigated by X-ray powder diffraction. A new ternary germanide of approximate composition ErRe0.25Ge2 was found, which adopts the structure type CeNiSi2 (Pearson symbol oS16, space group Cmcm, a = 4.0997(4), b = 15.7348(18), c = 3.9921(5) Å, RB = 0.0355, refined composition ErRe0.23(2)Ge2, for the as-cast alloy; a = 4.1117(3), b = 15.6846(15), c = 4.0184(3) Å, RB = 0.0420, refined composition ErRe0.28(2)Ge2, after annealing at 1073 K). The coordination polyhedron of the Er atoms has 21 vertexes (hexagonal prism with nine additional atoms), the one of the Re atoms is a bicapped square antiprism and the two crystallographically independent Ge atoms center tricapped trigonal prisms and cuboctahedra. The crystal structure contains layers of trigonal prisms (characteristic of the structure type AlB2) and square antiprisms (characteristic of the structure types BaAl4 and CeAl2Ga2), which alternate along the crystallographic direction [010]. The polyhedron surrounding the site partly occupied by the transition metal atoms is compared with the corresponding polyhedra in closely related structures.
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