Orthorhombic Crystal System for a Garnet-type Lithium-Ion Conductor

2020 ◽  
Vol 59 (19) ◽  
pp. 14376-14381
Author(s):  
Kunimitsu Kataoka ◽  
Junji Akimoto
Keyword(s):  
Lithium Ion ◽  
Orthorhombic Crystal System ◽  
Orthorhombic Crystal ◽  
Ion Conductor ◽  
Crystal System

scholarly journals Crystal Structure, Spectral Studies, and Hirshfeld Surfaces Analysis of 5-Methyl-5H-dibenzo[b,f]azepine and 5-(4-Methylbenzyl)-5H-dibenzo[b,f]azepine

2014 ◽  
Vol 2014 ◽  
pp. 1-9
Author(s):  
Madan Kumar Shankar ◽  
Basavapattana C. Manjunath ◽  
Koravangala Shivakumar Vinay Kumar ◽  
Kudigana J. Pampa ◽  
Marilinganadoddi P. Sadashiva ◽  
...  
Keyword(s):  
Diffraction Method ◽  
Spectral Studies ◽  
Boat Conformation ◽  
Orthorhombic Crystal System ◽  
Orthorhombic Crystal ◽  
Space Group ◽  
Cell Parameters ◽  
Crystal System ◽  
Hirshfeld Surfaces ◽  
Short Contacts

The compounds, 5-methyl-5H-dibenzo[b,f]azepine (1) and 5-(4-methylbenzyl)-5H-dibenzo[b,f]azepine (2), were synthesized and characterized by spectral studies, and finally confirmed by single crystal X-ray diffraction method. The compound 1 crystallizes in the orthorhombic crystal system in Pca21 space group, having cell parameters a=11.5681 (18) Å, b=11.8958 (18) Å, c=8.0342 (13) Å, and Z=4 and V=1105.6 (3) Å3. And the compound 2 crystallizes in the orthorhombic crystal system and space group Pbca, with cell parameters a=16.5858 (5) Å, b=8.4947 (2) Å, c=23.1733 (7) Å, and Z=8 and V=3264.92 (16) Å3. The azepine ring of both molecules 1 and 2 adopts boat conformation with nitrogen atom showing maximum deviations of 0.483 (2) Å and 0.5025 (10) Å, respectively. The C–H⋯π short contacts were observed. The dihedral angle between fused benzene rings to the azepine motif is 47.1 (2)° for compound 1 and 52.59 (6)° for compound 2, respectively. The short contacts were analyzed and Hirshfeld surfaces computational method for both molecules revealed that the major contribution is from C⋯H and H⋯H intercontacts.

Synthesis and Characterization of La2Ca2Cu2O7 Compound

1998 ◽  
Vol 12 (23) ◽  
pp. 991-993
Author(s):  
L. K. Kaliyaperumal ◽  
J. Srinivas ◽  
K. Jeyabalan
Keyword(s):  
Diffraction Analysis ◽  
Ambient Pressure ◽  
Lattice Parameters ◽  
Synthesis And Characterization ◽  
Orthorhombic Crystal System ◽  
X Ray Diffraction ◽  
Orthorhombic Crystal ◽  
X Ray ◽  
Crystal System

Synthesis and characterization of La 2 Ca 2 Cu 2 O 7 compound at ambient pressure is reported here. The powder X-ray diffraction analysis shows that the compound crystallizes in an orthorhombic crystal system with lattice parameters a = 5.770(4) Å, b = 5.887(7) Å and c = 27.37(2) Å.

X-ray powder diffraction data for κ-Al2O3

1999 ◽  
Vol 14 (1) ◽  
pp. 61-63 ◽  
Author(s):  
M. Halvarsson ◽  
V. Langer ◽  
S. Vuorinen
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Unit Cell ◽  
Theoretical Density ◽  
Powder Diffraction Data ◽  
Orthorhombic Crystal System ◽  
Orthorhombic Crystal ◽  
X Ray ◽  
Crystal System ◽  
Chemical Formulas

X-ray powder diffraction data for κ-Al2O3 are reported. It was concluded that κ-Al2O3 belongs to the orthorhombic crystal system with space group Pna21. The lattice parameters were found to be a=4.8351(3) Å, b=8.3109(5) Å, c=8.9363(3) Å. There are 16 Al3+ and 24 O2− in the unit cell, and thus the number of chemical formulas in the unit cell, Z, is 8. The volume V of the unit cell is equal to 359.09(6) Å3 and the theoretical density Dx is 3.772 g/cm3. The Smith–Snyder (F20) and the de Wolff (M20) values for these data are 136.1 (0.0059, 25) and 98.4, respectively.

Synthesis, optical and electronic properties of one-dimensional sulfoxonium-based hybrid metal halide, (CH3)3SOPbI3

2021 ◽  
Author(s):  
Yuki Tanaka ◽  
Shiqiang Bai ◽  
Xi Zu Wang ◽  
Si Yin TEE ◽  
Siew Lay Lim ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Metal Halide ◽  
Orthorhombic Crystal System ◽  
Orthorhombic Crystal ◽  
Space Group ◽  
One Dimensional ◽  
Crystal System ◽  
Optical And Electronic Properties ◽  
Pnma Space Group

We report the synthesis, optical and electronic properties of one-dimensional sulfoxonium-based hybrid metal halide in an orthorhombic crystal system with a Pnma space group. To provide direct insights, a method...

scholarly journals Zur Kenntnis von KCrF4/On KCrF4

1987 ◽  
Vol 42 (2) ◽  
pp. 135-141 ◽  
Author(s):  
Dieter Kissel ◽  
Rudolf Hoppe
Keyword(s):  
Single Crystals ◽  
Orthorhombic Crystal System ◽  
Orthorhombic Crystal ◽  
Ionic Radii ◽  
Coordination Numbers ◽  
Crystal System ◽  
Yellowish Green

Abstract KCrF4 has been prepared as yellowish-green single crystals (by heating of KF, CuF2 , CrF3 ; Au-tube, 750 °C, 60d). It crystallizes in the orthorhombic crystal system (Pnma) with: a = 1573.2, b = 743.2, c = 1833.1 pm, Z = 24. The structure shows [Cr3F9F6/2]3--columns along [010], The Madelung Part of Lattice Energie, MAPLE, is calculated and discussed, along with Effective Coordination Numbers, ECoN (via Mean Fictive Ionic Radii, MEFIR). The structure is described using SCHLEGEL-diagrams.

scholarly journals Perbandingan Sifat Feroelektrik Pada Sintesis Oksida Logam Aurivillius SrBi4Ti4O15 Empat Lapis Dengan Metode Hidrotermal

2019 ◽  
Vol 6 (2) ◽  
pp. 67-73
Author(s):  
Karnelasatri Karnelasatri ◽  
Edi Mikrianto
Keyword(s):  
Hydrothermal Method ◽  
Remanent Polarization ◽  
Single Phase ◽  
Ferroelectric Properties ◽  
Orthorhombic Crystal System ◽  
Orthorhombic Crystal ◽  
Space Group ◽  
Cell Parameters ◽  
Crystal System ◽  
System Cell

Aurivillius compounds, SrBi4Ti4O15 (SBT four layers) have been synthesized by hydrothermal method at 200℃ with variation of times 48 hours, 72 hours and 96 hours. Single phase of SrBi4Ti4O15 Aurivillius compounds obtained at the 200 ˚ C, 96 hours and the concentration of NaOH 3M. The Rietica program shown the index Miller result is 1 1 5 1 1 3, 0 2 0, 0 2 4, 2 0 8 2 2 0, 0 2 1 0, 3 1 6, 1 1 1 6 and the space group is A21am with the orthorhombic crystal system. Cell parameters are a = 5.5754 Å, b = 5.5456 Å, c = 41.3642. Ferroelectric properties show the value of remanent polarization Pr (+) and Pr (-) 4,61 C/cm2 and 2,75 C/cm2 and that is much lower than the value of remanent polarization of other material that have been synthesized at 240℃, 72 hours with the same method.

Synthesis and Characterization of La2CaCu3O7 Compound

1998 ◽  
Vol 12 (04) ◽  
pp. 143-146
Author(s):  
K. Jeyabalan ◽  
L. K. Kaliyaperumal ◽  
A. Sekar ◽  
S. Arumugam ◽  
J. Srinivas
Keyword(s):  
Diffraction Analysis ◽  
Powder Diffraction ◽  
Synthesis And Characterization ◽  
Orthorhombic Crystal System ◽  
Orthorhombic Crystal ◽  
X Ray ◽  
Crystal System ◽  
Cell Dimensions ◽  
Unit Cell Dimensions

Synthesis and characterization of the compound La 2 CaCu 3 O 7 has been reported here. The X-ray powder diffraction analysis reveals that the compound crystallizes in an orthorhombic crystal system with unit cell dimensions of a=5.496(6) Å, b=5.685(5) Å and c=24.356(11) Å.

A New Phase of the Na+ Ion Conductor Na3PS4

2019 ◽  
Author(s):  
Theodosios Famprikis ◽  
James Dawson ◽  
François Fauth ◽  
Emmanuelle Suard ◽  
Benoit Fleutot ◽  
...  
Keyword(s):  
Solid Electrolytes ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Orthorhombic Crystal ◽  
Orthorhombic Crystal Structure ◽  
Ion Conductor ◽  
Solid State Batteries ◽  
Density Analysis ◽  
Two Phases ◽  
Dynamics Simulations

<div> <p>Solid electrolytes are crucial for next‑generation solid‑state batteries and Na<sub>3</sub>PS<sub>4</sub> is one of the most promising Na<sup>+</sup> conductors for such applications. At present, two phases of Na<sub>3</sub>PS<sub>4</sub> have been identified and it had been thought to melt above 500 °C. In contrast, we show that it remains solid above this temperature and transforms into a third polymorph, γ, exhibiting superionic behavior. We propose an orthorhombic crystal structure for γ‑Na<sub>3</sub>PS<sub>4</sub> based on scattering density analysis of diffraction data and density functional theory calculations. We show that the Na<sup>+</sup> superionic behavior is associated with rotational motion of the thiophosphate polyanions pointing to a rotor phase, based on <i>ab initio</i> molecular dynamics simulations and supported by high‑temperature synchrotron and neutron diffraction, thermal analysis and impedance spectroscopy. These findings are of importance for the development of new polyanion‑based solid electrolytes.</p> </div>

scholarly journals Sodium, Silver and Lithium-Ion Conducting β″-Alumina + YSZ Composites, Ionic Conductivity and Stability

Crystals ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 293
Author(s):  
Liangzhu Zhu ◽  
Anil V. Virkar
Keyword(s):  
Ion Exchange ◽  
Electrochemical Impedance ◽  
Ionic Conductivities ◽  
Lithium Ion ◽  
Co2 Corrosion ◽  
Ionic Conductors ◽  
Ion Conductor ◽  
Sensor Applications ◽  
Potential Applications ◽  
Ion Conducting

Na-β″-alumina (Na2O.~6Al2O3) is known to be an excellent sodium ion conductor in battery and sensor applications. In this study we report fabrication of Na- β″-alumina + YSZ dual phase composite to mitigate moisture and CO2 corrosion that otherwise can lead to degradation in pure Na-β″-alumina conductor. Subsequently, we heat-treated the samples in molten AgNO3 and LiNO3 to respectively form Ag-β″-alumina + YSZ and Li-β″-alumina + YSZ to investigate their potential applications in silver- and lithium-ion solid state batteries. Ion exchange fronts were captured via SEM and EDS techniques. Their ionic conductivities were measured using electrochemical impedance spectroscopy. Both ion exchange rates and ionic conductivities of these composite ionic conductors were firstly reported here and measured as a function of ion exchange time and temperature.

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