scholarly journals Syntheses, Crystal Structure and Magnetic Properties of Tl9RETe6 (RE = Ce, Sm, Gd)

Crystals ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 277
Author(s):  
Anna Isaeva ◽  
Rico Schönemann ◽  
Thomas Doert
Keyword(s):  
Crystal Structure ◽  
Magnetic Properties ◽  
Rare Earth ◽  
Dft Calculations ◽  
Magnetic Order ◽  
Earth Metal ◽  
Magnetic Data ◽  
Range Magnetic Order ◽  
Long Range Magnetic Order ◽  
Derivatives Of

The three compounds Tl9RETe6 with RE = Ce, Sm, Gd were synthesized from the elements at 1020 K. Their isostructural crystal structures are ordered derivatives of the Tl5Te3 type with rare-earth metal and thallium occupying different Wyckoff positions. The structures can be understood as charge-ordered in accordance with the Zintl-Klemm concept: 9 Tl+ + RE3+ + 6 Te2−. DFT calculations for Tl9GdTe6, however, result in a low, but finite density of states at the Fermi level. Magnetic data confirm trivalent Gd, but indicate a small amount of Ce4+ in Tl9CeTe6; no indications for long-range magnetic order was found down to T = 2 K.

Synthesis, Structure and Magnetic Properties of Monoclinic Nb12O29

2000 ◽  
Vol 658 ◽  
Author(s):  
J. E. L. Waldron ◽  
M. A. Green
Keyword(s):  
Magnetic Properties ◽  
Magnetic Order ◽  
Bulk Sample ◽  
Charge Ordering ◽  
Rapid Reduction ◽  
One Dimensional ◽  
Range Magnetic Order ◽  
A Charge ◽  
Ordering Transition ◽  
Long Range Magnetic Order

ABSTRACTThe synthesis, structure and magnetic properties of monoclinic Nb12O29 are described. The synthesis of a pure bulk sample is difficult due to the large number of other similar phases. It is achieved by rapid reduction of H-Nb2O5 with Nb metal. The compound is shown to undergo a charge ordering transition at low temperature which provokes long range magnetic order in an intriguing one dimensional arrangement.

scholarly journals Molecular cleft or tweezer compounds derived from trioxabicyclo[3.3.1]nonadiene diisocyanate and diacid dichloride

2015 ◽  
Vol 11 ◽  
pp. 1-8 ◽  
Author(s):  
Gert Kollenz ◽  
Ralf Smounig ◽  
Ferdinand Belaj ◽  
David Kvaskoff ◽  
Curt Wentrup
Keyword(s):  
Rare Earth ◽  
Crown Ether ◽  
Dft Calculations ◽  
Metal Ions ◽  
Rare Earth Metal ◽  
Alkaline Earth ◽  
Earth Metal ◽  
X Ray ◽  
X Ray Crystallography ◽  
Derivatives Of

The structures of two derivatives of the bisdioxine diisocyanate 1, the bisurea 4 and the biscarbamate 5, are established by X-ray crystallography and DFT calculations. These compounds possess endo,endo structures, in the case of the bisurea 4 with two nearly parallel pendant chains. The X-ray structures are reproduced very well by DFT calculations. Similar endo,endo conformations are calculated for the bisamide crown ether derivatives 7, where two proximate and nearly parallel crown ether units endow the molecules with a claw-like molecular cleft or tweezer structure as evidenced by an enhanced ability to extract some alkali, alkaline earth and rare earth metal ions.

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