A Novel Oxide Ion Conductor in a Doped Bi2O3-V2O5System:  Ab Initio Structure of a New Polymorph of NaBi3V2O10via Powder X-ray Diffraction†

2000 ◽  
Vol 12 (12) ◽  
pp. 3658-3661 ◽  
Author(s):  
Digamber G. Porob ◽  
T. N. Guru Row
Keyword(s):  
Ab Initio ◽  
X Ray Diffraction ◽  
Ion Conductor ◽  
X Ray ◽  
Oxide Ion Conductor ◽  
Ab Initio Structure ◽  
Oxide Ion

Determinations of crystallographic space group and atomic arrangements in oxide-ion-conducting Nd9.33(SiO4)6O2

2004 ◽  
Vol 219 (1) ◽  
Author(s):  
Hiroki Okudera ◽  
Akira Yoshiasa ◽  
Yuji Masubuchi ◽  
Mikio Higuchi ◽  
Shinichi Kikkawa
Keyword(s):  
Single Crystal ◽  
Diffraction Study ◽  
X Ray Diffraction ◽  
Ion Conductor ◽  
Space Group ◽  
X Ray ◽  
Oxide Ion Conductor ◽  
Ion Conducting ◽  
Oxide Ion

AbstractIn this paper we report single crystal X-ray diffraction study of an oxide-ion-conductor Nd

scholarly journals Structural analysis of oxide ion conductor, Ba2-xSrxIn2O5 and Ba2In2-xGaxO5 - Significance of synchrotron X-ray diffraction at high temperatures

2009 ◽  
Vol 117 (1361) ◽  
pp. 56-59 ◽  
Author(s):  
Takuya HASHIMOTO ◽  
Masashi YOSHINAGA ◽  
Koutatsu NAKANO ◽  
Kazuki OMOTO ◽  
Takayuki SUGIMOTO ◽  
...  
Keyword(s):  
Structural Analysis ◽  
High Temperatures ◽  
X Ray Diffraction ◽  
Ion Conductor ◽  
X Ray ◽  
Oxide Ion Conductor ◽  
Oxide Ion

Ab initio structure determination of anhydrous sodium alendronate from laboratory powder X-ray diffraction data

2009 ◽  
Vol 98 (6) ◽  
pp. 2113-2121 ◽  
Author(s):  
Minakshi Asnani ◽  
K. Vyas ◽  
Apurba Bhattacharya ◽  
Surya Devarakonda ◽  
Santu Chakraborty ◽  
...  
Keyword(s):  
Ab Initio ◽  
Diffraction Data ◽  
Structure Determination ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ab Initio Structure

Structural and Electrical Changes in BIMNVOX Oxide-Ion Conductor

2011 ◽  
Vol 316-317 ◽  
pp. 7-22 ◽  
Author(s):  
Saba Beg ◽  
Shehla Hafeez ◽  
Niyazi A.S. Al-Areqi
Keyword(s):  
Solid Solutions ◽  
X Ray Diffraction ◽  
Structural Investigations ◽  
Ion Conductor ◽  
Polymorphic Transitions ◽  
Oxide Ion Conductor ◽  
Β Phase ◽  
Ft Ir ◽  
Increasing Temperature ◽  
Oxide Ion

Ceramic solid solutions Bi4MnxV2–xO11–(x/2)–δ in the composition range 0.07 ≤ x ≤ 0.30 were obtained by solid state synthesis. Structural investigations were carried out by using a combination of FT-IR and powder X-ray diffraction technique. Polymorphic transitions (β↔γ and γ′↔γ) were detected by DTA and variation in the Arrhenius plots of conductivity. The solid solutions with composition 0.07 ≤ x ≤ 0.17 are isostructural with the orthorhombic β-phase, and those with x ≤ 0.30 represent tetragonal γ-phase. With increasing Mn concentration, the conductivity of solid solutions increases from 3.684×10-6 (x = 0.07) to 2.467×10-5 (x = 0.17). AC impedance plots show that the conductivity is mainly due to the grain contribution which is evident in the enhanced short range diffusion of oxide ion vacancy in the grains with increasing temperature.

scholarly journals Ab-initio structure determination of C18H19N4S from powder X-ray diffraction

2005 ◽  
Vol 61 (a1) ◽  
pp. c157-c157
Author(s):  
H.-S. Sheu ◽  
O. Ozgen ◽  
Y. H. Lin ◽  
E. Kendi ◽  
N. Gokhan
Keyword(s):  
Ab Initio ◽  
Structure Determination ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ab Initio Structure

Ab Initio Structure Determination of Quasicrystals via Single Crystal X-Ray Diffraction

2003 ◽  
Vol 805 ◽  
Author(s):  
Hiroyuki Takakura ◽  
Akiji Yamamoto ◽  
Marc de Boissieu ◽  
Taku J Sato ◽  
An Pang Tsai
Keyword(s):  
Single Crystal ◽  
Ab Initio ◽  
Structure Determination ◽  
Dimensional Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Higher Dimensional ◽  
Icosahedral Quasicrystals ◽  
Ab Initio Structure

ABSTRACTA standard approach for structure solution of ordinary crystals begins with solving the phase problem. We show that a similar procedure can be taken even in the case of quasicrystals using single crystal X-ray diffraction by applying an ab initio structure determination method called the low density elimination method. The first picture of the occupation domains, which must be specified in a higher-dimensional structure determination of quasicrystals, is obtained from a phase-reconstructed density. We present six-dimensional densities determined by this method and give their interpretation for several different types of icosahedral quasicrystals.

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