scholarly journals Crystal Structure Evolution and Notable Thermal Expansion in Hybrid Perovskites Formamidinium Tin Iodide and Formamidinium Lead Bromide

2017 ◽  
Vol 57 (2) ◽  
pp. 695-701 ◽  
Author(s):  
Emily C. Schueller ◽  
Geneva Laurita ◽  
Douglas H. Fabini ◽  
Constantinos C. Stoumpos ◽  
Mercouri G. Kanatzidis ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Thermal Expansion ◽  
Structure Evolution ◽  
Lead Bromide ◽  
Tin Iodide

scholarly journals Crystal structure evolution of BaBrCl and BaBrCl:5%Eu up to 1073 K by neutron diffraction

2018 ◽  
Vol 51 (2) ◽  
pp. 498-504 ◽  
Author(s):  
Drew R. Onken ◽  
Richard T. Williams ◽  
Didier Perrodin ◽  
Tetiana Shalapska ◽  
Edith D. Bourret ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Thermal Expansion ◽  
Crystal Growth ◽  
Melting Point ◽  
Neutron Diffraction ◽  
Growth Yield ◽  
Rietveld Analysis ◽  
Structure Evolution ◽  
Scintillator Material ◽  
Chemical Strain

BaBrCl:Eu is a promising scintillator material; however, the crystal growth yield must be improved for it to become commercially viable. This study measures strain accumulations in the crystal lattice which can contribute to cracking during post-growth cooling. Neutron diffraction is used to measure the crystal structure of undoped and 5 mol% europium-doped BaBrCl from 303 to 1073 K, approaching the melting point. Rietveld analysis of these data provides the temperature dependence of the thermal and chemical strain in BaBrCl. In particular, anisotropic thermal expansion is measured, with expansion along thebaxis nearly double the expansion along theaandcaxes. Additionally, the chemical strain from the incorporation of europium atoms peaks around 673 K, explaining cracking frequently observed in that temperature range.

P2-Na2/3Mn0.8M0.1M′0.1O2 (M = Zn, Fe and M′ = Cu, Al, Ti): A Detailed Crystal Structure Evolution Investigation

2021 ◽  
Author(s):  
Jennifer H. Stansby ◽  
Neeraj Sharma ◽  
Maxim Avdeev ◽  
Helen E. A. Brand ◽  
Bernt Johannessen ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Structure Evolution

Crystal structure, thermal expansion and fluorescence of Sr3–1.5Eu B2+Si1–O8–/2 phosphors

2021 ◽  
Vol 260 ◽  
pp. 124151
Author(s):  
Maria G. Krzhizhanovskaya ◽  
Sergey N. Volkov ◽  
Alexey V. Povolotskiy ◽  
Rimma S. Bubnova ◽  
Olga L. Belousova ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Thermal Expansion

ChemInform Abstract: Magnetization, Crystal Structure and Anisotropic Thermal Expansion of Single-Crystal SrEr2O4.

ChemInform ◽  
2015 ◽  
Vol 46 (10) ◽  
pp. no-no
Author(s):  
Hai-Feng Li ◽  
Andrew Wildes ◽  
Binyang Hou ◽  
Cong Zhang ◽  
Berthold Schmitz ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Thermal Expansion ◽  
Single Crystal ◽  
Anisotropic Thermal Expansion

Na2M2(SO4)3 (M = Fe, Mn, Co and Ni): towards high-voltage sodium battery applications

2016 ◽  
Vol 18 (14) ◽  
pp. 9658-9665 ◽  
Author(s):  
Rafael B. Araujo ◽  
Sudip Chakraborty ◽  
Prabeer Barpanda ◽  
Rajeev Ahuja
Keyword(s):  
Crystal Structure ◽  
Density Functional Theory ◽  
Charge Transfer ◽  
Redox Potential ◽  
Density Of States ◽  
High Voltage ◽  
Density Functional ◽  
Structure Evolution ◽  
Sodium Ions ◽  
Functional Theory

We have employed density functional theory to systematically investigate the crystal structure evolution, density of states and charge transfer with sodium ions insertion, and the corresponding average redox potential, for Na2M2(SO4)3 (M = Fe, Mn, Co and Ni).

scholarly journals Substitutions of Zr4+/V5+ for Y3+/Mo6+ in Y2Mo3O12 for Less Hygroscopicity and Low Thermal Expansion Properties

Materials ◽  
2019 ◽  
Vol 12 (23) ◽  
pp. 3945 ◽  
Author(s):  
Qiang Ma ◽  
Lulu Chen ◽  
Heng Qi ◽  
Qi Xu ◽  
Baohe Yuan ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Thermal Expansion ◽  
Crystal Structures ◽  
Room Temperature ◽  
Crystal Water ◽  
Thermal Expansion Property ◽  
Expansion Property ◽  
Low Thermal Expansion ◽  
Substitution Content ◽  
Structure And Microstructure

In this investigation, ZrxY2−xVxMo3−xO12 (0 ≤ x ≤ 1.4) is developed and the effects of the substitutions of Zr4+/V5+ for Y3+/Mo6+ in Y2Mo3O12 on the hygroscopicity and thermal expansion property are investigated. For the smaller substitution content (x ≤ 0.5), their crystal structures remain orthorhombic, while there is crystal water still in the lattice. The linear coefficients of thermal expansions (CTEs), for x = 0.1, 0.3, 0.5, and 0.7, are about −4.30 × 10−6, −0.97 × 10−6, 0.85 × 10−6, and 0.77 × 10−6 K−1, respectively, from 476 to 773 K, which means that the linear CTE could be changed linearly with the substitution content of Zr4+/V5+ for Y3+/Mo6+ in Y2Mo3O12. As long as the substitution content reaches x = 1.3/1.4, almost no hygroscopicity and low thermal expansion from room temperature are obtained and are discussed in relation to the crystal structure and microstructure.

scholarly journals Ba5(IO6)2: crystal structure evolution from room temperature to 80 K

2021 ◽  
Vol 77 (6) ◽  
pp. 634-637
Author(s):  
David Wenhua Bi ◽  
Priya Ranjan Baral ◽  
Arnaud Magrez
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Structural Transition ◽  
Rietveld Method ◽  
Structural Parameters ◽  
Structure Evolution ◽  
X Ray Diffraction ◽  
Lattice Contraction ◽  
Interatomic Distances ◽  
Crystallographic Axes

The crystal structure of Ba5(IO6)2, pentabarium bis(orthoperiodate), has been re-investigated at room temperature based on single-crystal X-ray diffraction data. In comparison with a previous crystal structure determination by the Rietveld method, an improved precision of the structural parameters was achieved. Additionally, low-temperature measurements allowed the crystal structure evolution to be studied down to 80 K. No evidence of structural transition was found even at the lowest temperature. Upon cooling, the lattice contraction is more pronounced along the b axis. This contraction is found to be inhomogeneous along different crystallographic axes. The interatomic distances between different Ba atoms reduce drastically with lowering temperature, resulting in a closer packing around the IO6 octahedra, which remain largely unaffected.

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