TY - JOUR
T1 - Ladders of a magnetically active element in the structure of the novel complex boride Ti9Fe2Ru18B8
T2 - Synthesis, structure, bonding, and magnetism
AU - Fokwa, Boniface P.T.
AU - Samolyuk, German D.
AU - Miller, Gordon J.
AU - Dronskowski, Richard
PY - 2008/3/17
Y1 - 2008/3/17
N2 - Polycrystalline samples and single crystals of the complex boride Ti 9Fe2Ru18B8 were synthesized by arc-melting the elements and characterized by single-crystal X-ray diffraction and energy-dispersive X-ray analysis. Ti9Fe2Ru 18B8 is a new substitutional variant of the Zn 11Rh18B8 structure type, space group P4/mbm (No. 127), whose remarkable feature is that it contains one-dimensional chains of dumbbells of magnetically active Fe atoms, which form "ladders" along the c axis. The Fe-Fe distance within a dumbbell is 2.489(2) Å, and the Fe2-Fe2 distance between two dumbbells is 2.968(1) Å; in contrast, the chains are well-separated from each other by distances of at least 11.217(2) Å. According to the results of tight-binding electronic structure calculations, Ru-B and Ti-Ru contacts are responsible for the structural robustness, while Fe-Fe interactions influence the magnetic behavior. According to magnetization measurements, Ti9Fe 2Ru18B8 orders ferromagnetically between 10 and 200 K. A model for ferromagnetism in this ladder-based structure identifies ferromagnetic coupling among neighboring spin-triplet Fe2 dimers along the c axis as the origin of the magnetic behavior.
AB - Polycrystalline samples and single crystals of the complex boride Ti 9Fe2Ru18B8 were synthesized by arc-melting the elements and characterized by single-crystal X-ray diffraction and energy-dispersive X-ray analysis. Ti9Fe2Ru 18B8 is a new substitutional variant of the Zn 11Rh18B8 structure type, space group P4/mbm (No. 127), whose remarkable feature is that it contains one-dimensional chains of dumbbells of magnetically active Fe atoms, which form "ladders" along the c axis. The Fe-Fe distance within a dumbbell is 2.489(2) Å, and the Fe2-Fe2 distance between two dumbbells is 2.968(1) Å; in contrast, the chains are well-separated from each other by distances of at least 11.217(2) Å. According to the results of tight-binding electronic structure calculations, Ru-B and Ti-Ru contacts are responsible for the structural robustness, while Fe-Fe interactions influence the magnetic behavior. According to magnetization measurements, Ti9Fe 2Ru18B8 orders ferromagnetically between 10 and 200 K. A model for ferromagnetism in this ladder-based structure identifies ferromagnetic coupling among neighboring spin-triplet Fe2 dimers along the c axis as the origin of the magnetic behavior.
UR - http://www.scopus.com/inward/record.url?scp=42149164981&partnerID=8YFLogxK
U2 - 10.1021/ic7020963
DO - 10.1021/ic7020963
M3 - Article
AN - SCOPUS:42149164981
SN - 0020-1669
VL - 47
SP - 2113
EP - 2120
JO - Inorganic Chemistry
JF - Inorganic Chemistry
IS - 6
ER -