The Madelung constant and bonding angle as “sensors” of the high-pressure induced amorphization and first-order isostructural phase transition in Mg(OH)2 and Ca(OH)2

2021 ◽  
Vol 296 ◽  
pp. 121993
Author(s):  
Valeri S. Harutyunyan
2020 ◽  
Vol 124 (16) ◽  
pp. 8669-8679 ◽  
Author(s):  
Akun Liang ◽  
Saqib Rahman ◽  
Hajra Saqib ◽  
Placida Rodriguez-Hernandez ◽  
Alfonso Muñoz ◽  
...  

2020 ◽  
Vol 22 (6) ◽  
pp. 3352-3369 ◽  
Author(s):  
Vanesa Paula Cuenca-Gotor ◽  
Juan Ángel Sans ◽  
Oscar Gomis ◽  
Andres Mujica ◽  
Silvana Radescu ◽  
...  

Orpiment (α-As2S3) under compression reports a strong change in the coordination of As atoms at 25 GPa, which can be ascribed to an isostructural phase transition. These changes are consistent with the formation of metavalent bonds in orpiment.


2008 ◽  
Vol 273-276 ◽  
pp. 271-276
Author(s):  
Veneta Grigorova

We study thermodynamically the behaviour of PdSe2 while subjected to high pressure under isothermal conditions. The present paper discusses the volumetric-level calculations and results. Experiments under two certain temperature levels are performed: 20oC and 300oC. Calculations and analyses are done according to the method for thermodynamical analysis developed by us in [1]. We detected the order of phase transition from PdS2 structure type to pyrite one to be first order notwithstanding the temperature level. Values of transition pressure were found to be 12.24 GPa and 9.785 GPa at 20oC and 300oC, respectively. Adjusted entropy generation during compression was calculated aiming to study stability of treated compound. Influence of compression temperature level was analysed, as well as duration of pressure plateaux.


2015 ◽  
Vol 119 (49) ◽  
pp. 27657-27665 ◽  
Author(s):  
Jinggeng Zhao ◽  
Lingling Xu ◽  
Yang Liu ◽  
Zhenhai Yu ◽  
Chunyu Li ◽  
...  

2004 ◽  
Vol 93 (10) ◽  
Author(s):  
Florent Occelli ◽  
Daniel L. Farber ◽  
James Badro ◽  
Chantel M. Aracne ◽  
David M. Teter ◽  
...  

Author(s):  
Davide Comboni ◽  
Tomasz Poreba ◽  
Francesco Pagliaro ◽  
Tommaso Battiston ◽  
Paolo Lotti ◽  
...  

The crystal structure of the high-pressure polymorph of meyerhofferite, ideally Ca2B6O6(OH)10·2(H2O), has been determined by means of single-crystal synchrotron X-ray diffraction data. Meyerhofferite undergoes a first-order isosymmetric phase transition to meyerhofferite-II, bracketed between 3.15 and 3.75 GPa, with a large volume discontinuity. The phase transition is marked by an increase in the coordination number of the boron B1 site, from III to IV, leading to a more interconnected and less compressible structure. The main structural differences between the two polymorphs and the P-induced deformation mechanisms at the atomic scale are discussed.


Author(s):  
Valeri Brouskov ◽  
Michael Hanfland ◽  
Rainer Pöttgen ◽  
Ulrich Schwarz

AbstractStructural properties of the ternary intermetallic compound CeAuGe were investigated at hydrostatic pressures up to 15 GPa with high-resolution angle dispersive X-ray powder diffraction using synchrotron radiation and the diamond anvil cell technique. At 8.7(7) GPa a first order phase transition is observed from a hexagonal NdPtSb-type arrangement into an orthorhombic high-pressure modification with a TiNiSi-type crystal structure. The transformation is associated with a 3% shortening of the lattice parameter perpendicular to the puckered layers [AuGe]


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