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Grown from lithium flux, the ErCo 5 Si 3.17 silicide is a combination of disordered derivatives of the UCo 5 Si 3 and Yb 6 Co 30 P 19 structure types
Author(s) -
Stetskiv Andrij,
RozdzynskaKielbik Beata,
Misztal Renata,
Pavlyuk Volodymyr
Publication year - 2015
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.304
H-Index - 17
ISSN - 2053-2296
DOI - 10.1107/s2053229615009791
Subject(s) - ternary operation , crystallography , silicide , polyhedron , atom (system on chip) , lithium (medication) , symmetry (geometry) , hexagonal crystal system , lattice (music) , octahedron , trigonal crystal system , chemistry , charge (physics) , cluster (spacecraft) , silicon , materials science , crystal structure , physics , geometry , medicine , mathematics , quantum mechanics , computer science , acoustics , embedded system , programming language , endocrinology , organic chemistry
A ternary hexaerbium triacontacobalt enneakaidecasilicide, ErCo 5 Si 3.17 , crystallizes as a combination of disordered variants of the hexagonal UCo 5 Si 3 ( P 6 3 / m ) and Yb 6 Co 30 P 19 ( P ) structure types and is closely related to the Sc 6 Co 30 Si 19 and Ce 6 Rh 30 Si 19 types. The Er, Co and three of the Si atoms occupy sites of m .. symmetry and a fourth Si atom occupies a site of .. symmetry. The environment of the Er atom is a 21‐vertex pseudo‐Frank–Kasper polyhedron. Trigonal prismatic coordination is observed for the Si atoms. The Co atoms are enclosed in heavily deformed cuboctahedra and 11‐vertex polyhedra. Crystallochemistry analysis and the data from electronic structure calculations (TB–LMTO–ASA) suggest that the Er atoms form positively charged cations which compensate the negative charge of the [Co 12 Si 9 ] m − polyanions.