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Structure and Oxidation States of Giant Unit Cell Compound Dy 117+ x Fe 57– y Sn 112– z
Author(s) -
Brown Alexander T.,
Barron Keaton G.,
Salazar Bryan G.,
Kirby Parker,
McCandless Gregory T.,
Walker Amy V.,
Chan Julia Y
Publication year - 2017
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201700321
Subject(s) - isostructural , crystallography , intermetallic , crystal structure , chemistry , materials science , metallurgy , alloy
Motivated by the complex structure and properties of giant unit cell intermetallic compounds, a new isostructural Fe analogue of the Dy 117 Co 57 Sn 112 structure type was synthesized. Single crystals of Dy 122 Fe 55 Sn 101 were grown at 1260 °C via a Dy–Fe eutectoid flux. The Fe analogue also adopts the space group Fm 3 m with lattice parameters a = 29.914(9) Å, V = 26769(23) Å 3 , and Z = 4. Dy 122 Fe 55 Sn 101 has a large cell volume, structural complexity, and consists of seven Dy, eight Fe, and ten Sn unique crystallographic sites. There are fifteen fully occupied atomic positions, three unique pairs of alternating atomic positions with positional disorder, and seven partially occupied atomic sites. Within this complex unit cell, only approximately half the unique atomic positions are fully occupied with the remainder of the atoms either positionally or occupationally disordered. X‐ray photoelectron spectroscopy indicates that the compound contains Dy 3+ , Fe 0 , Fe 2+ , Sn 0 , and Sn 4+ .