structural distortion
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2022 ◽  
Author(s):  
Maruthi Mala ◽  
Tamilselvan Appadurai ◽  
Aravind Kumar Chandiran

The structural distortion in halide perovskites is important to tune the optical properties of materials. The octahedra formed by metal cation and halide anions in these classes of materials remain...


2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Akihiko Nakatsuka ◽  
Hiroshi Fukui ◽  
Seiji Kamada ◽  
Naohisa Hirao ◽  
Makio Ohkawa ◽  
...  

AbstractThe compositional difference between subducting slabs and their surrounding lower-mantle can yield the difference in incorporation mechanism of Fe and Al into bridgmanite between both regions, which should cause heterogeneity in physical properties and rheology of the lower mantle. However, the precise cation-distribution has not been examined in bridgmanites with Fe- and Al-contents expected in a mid-ocean ridge basalt component of subducting slabs. Here we report on Mg0.662Fe0.338Si0.662Al0.338O3 bridgmanite single-crystal characterized by a combination of single-crystal X-ray diffraction, synchrotron 57Fe-Mössbauer spectroscopy and electron probe microanalysis. We find that the charge-coupled substitution AMg2+  + BSi4+  ↔ AFe3+(high-spin) + BAl3+ is predominant in the incorporation of Fe and Al into the practically eightfold-coordinated A-site and the sixfold-coordinated B-site in bridgmanite structure. The incorporation of both cations via this substitution enhances the structural distortion due to the tilting of BO6 octahedra, yielding the unusual expansion of mean <A–O> bond-length due to flexibility of A–O bonds for the structural distortion, in contrast to mean <B–O> bond-length depending reasonably on the ionic radius effect. Moreover, we imply the phase-transition behavior and the elasticity of bridgmanite in slabs subducting into deeper parts of the lower mantle, in terms of the relative compressibility of AO12 (practically AO8) and BO6 polyhedra.


2021 ◽  
Vol 119 (15) ◽  
pp. 152405
Author(s):  
Linxuan Song ◽  
Bei Ding ◽  
Hang Li ◽  
Senhao Lv ◽  
Yuan Yao ◽  
...  

Author(s):  
Lin Wang ◽  
Haifeng Liu ◽  
Jiacheng Yang ◽  
Jie Li ◽  
Yuxi Sun ◽  
...  

2021 ◽  
Vol 125 (37) ◽  
pp. 20468-20481
Author(s):  
Guillermo Gutierrez ◽  
Emma M. Sundin ◽  
Paul Gaurav Nalam ◽  
Vishal Zade ◽  
Rebecca Romero ◽  
...  

Nano Letters ◽  
2021 ◽  
Author(s):  
Zhen-Yu Liu ◽  
Shuang Qiao ◽  
Bing Huang ◽  
Qiao-Yin Tang ◽  
Zi-Heng Ling ◽  
...  

ChemistryOpen ◽  
2021 ◽  
Vol 10 (8) ◽  
pp. 798-805
Author(s):  
Antonio Iacomini ◽  
Sebastiano Garroni ◽  
Nina Senes ◽  
Gabriele Mulas ◽  
Stefano Enzo ◽  
...  

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