High-pressure structural studies of eskolaite by means of single-crystal X-ray diffraction

2012 ◽  
Vol 97 (10) ◽  
pp. 1764-1770 ◽  
Author(s):  
A. Kantor ◽  
I. Kantor ◽  
M. Merlini ◽  
K. Glazyrin ◽  
C. Prescher ◽  
...  
2021 ◽  
Author(s):  
Helen Elizabeth Mason ◽  
Jake R.C. Musselle-Sexton ◽  
Judith A. K. Howard ◽  
Michael Probert ◽  
Hazel Anne Sparkes

The spin-crossover behaviour of [Fe(abpt)2(NCS)2] (abpt = 4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole) polymorphs B and D have been studied using single crystal X-ray diffraction to monitor changes in structural features. High pressure single crystal...


Author(s):  
Innokenty Kantor ◽  
Alexander Kurnosov ◽  
Catherine McCammon ◽  
Leonid Dubrovinsky

AbstractA high-pressure quasi-single crystal X-ray diffraction study of a synthetic iron oxide Fe


2018 ◽  
Vol 103 (10) ◽  
pp. 1568-1574 ◽  
Author(s):  
Xiaojing Lai ◽  
Feng Zhu ◽  
Jiachao Liu ◽  
Dongzhou Zhang ◽  
Yi Hu ◽  
...  

2011 ◽  
Vol 82 (5) ◽  
pp. 055111 ◽  
Author(s):  
Benedetta Periotto ◽  
Fabrizio Nestola ◽  
Tonci Balic-Zunic ◽  
Ross J. Angel ◽  
Ronald Miletich ◽  
...  

Metals ◽  
2019 ◽  
Vol 9 (10) ◽  
pp. 1037 ◽  
Author(s):  
Sai Wang ◽  
Changzeng Fan

When processing single crystal X-ray diffraction datasets for twins of Al2Cu sample synthesized by the high-pressure sintering (HPS) method, we have clarified why the crystal structure of Al2Cu was incorrectly solved about a century ago. The structural relationships between all existing Al2Cu phases, including the Owen-, θ-, θ’-, and Ω-Al2Cu phases, were investigated and established based on a proposed pseudo Al2Cu phase. Two potential phases have been built up by adjusting the packing sequences of A/B layers of Al atoms that were inherent in all existing Al2Cu phases. The mechanical, thermal, and dynamical stability of two such novel phases and their electronic properties were investigated by first-principles calculations.


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