Temperature dependence of structural parameters in oxide-ion-conducting Nd9.33(SiO4)6O2: single crystal X-ray studies from 295 to 900K

2004 ◽  
Vol 177 (12) ◽  
pp. 4451-4458 ◽  
Author(s):  
Hiroki Okudera ◽  
Akira Yoshiasa ◽  
Yuuji Masubuchi ◽  
Mikio Higuchi ◽  
Shinichi Kikkawa
Keyword(s):  
Single Crystal ◽  
Temperature Dependence ◽  
Structural Parameters ◽  
X Ray ◽  
Ion Conducting ◽  
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

Temperature dependence of structure parameters in natural magnetite: single crystal X-ray studies from 126 to 773 K

1996 ◽  
Vol 52 (3) ◽  
pp. 450-457 ◽  
Author(s):  
H. Okudera ◽  
K. Kihara ◽  
T. Matsumoto
Keyword(s):  
Single Crystal ◽  
Temperature Dependence ◽  
Temperature Rise ◽  
Structural Parameters ◽  
Diffraction Method ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Dimensions ◽  
Increasing Temperature ◽  
Cation Sites

Structural parameters and their thermal changes in natural magnetite, Fe3O4, have been studied using the single-crystal X-ray diffraction method in the temperature range 126–773 K. The cell dimensions, oxygen coordinate and atomic mean square displacements (m.s.d.'s) reversibly change as a function of temperature. The coordinate of oxygen remains almost constant at x = 0.2549 (1) below ~600 K, but increases with increasing temperature above this temperature. This characteristic behavior of the oxygen coordinate with temperature indicates that the cation disordering over the tetrahedral (A) and octahedral (B) cation sites occurs above 600 K. All atomic m.s.d.'s increase monotonously with temperature rise. The m.s.d.'s of the B atom show a unique temperature dependence. At lower temperatures the B atom prefers to vibrate along [111], but this preference is reduced with a temperature rise up to 630 K, above which the m.s.d. normal to [111] becomes dominant.

Temperature dependence of the AV3O7 (A = Ca, Sr) structure

2007 ◽  
Vol 63 (6) ◽  
pp. 836-842 ◽  
Author(s):  
Sebastian Prinz ◽  
Karine M. Sparta ◽  
Georg Roth
Keyword(s):  
Single Crystal ◽  
Temperature Dependence ◽  
Crystal Structures ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
X Ray ◽  
Space Groups ◽  
Temperature Ranges ◽  
First Time

The V4+ (spin ½) oxovanadates AV3O7 (A = Ca, Sr) were synthesized and studied by means of single-crystal X-ray diffraction. The room-temperature structures of both compounds are orthorhombic and their respective space groups are Pnma and Pmmn. The previously assumed structure of SrV3O7 has been revised and the temperature dependence of both crystal structures in the temperature ranges 297–100 K and 315–100 K, respectively, is discussed for the first time.

Iron(II) and Nickel(II) Complexes of 2,6-Di(Thiazol-4-Yl)Pyridine and Related Ligands: Magnetic, Spectral and Structural Studies

1986 ◽  
Vol 39 (2) ◽  
pp. 209 ◽  
Author(s):  
AT Baker ◽  
HA Goodwin
Keyword(s):  
Solid State ◽  
Metal Complexes ◽  
Single Crystal ◽  
Coordination Sphere ◽  
Structural Parameters ◽  
Complex Cation ◽  
Magnetic Behaviour ◽  
Structural Studies ◽  
Thermally Induced ◽  
X Ray

2,6-Di(thiazol-4-yl)pyridine (1a), 2,6-di(2-methylthiazol-4-yl)pyridine (1b) and 2,6-di(2-phenylthiazol-4-yl)pyridine (1c) have been prepared by Hantzsch syntheses from 2,6-di(ω- bromoacetyl )pyridine and the appropriate thioamide. Bis ( ligand ) iron(II) and nickel(II) complexes of (1a) and (1b) have been prepared but no metal complexes of (1c) were isolated. The bis ( ligand ) iron(II) complexes of (1a) are low-spin whereas those of (1b) undergo thermally induced spin-transitions, both in the solid state and solution. The field strengths of the ligands , determined from the spectra of their nickel(II) complexes, correlate well with the observed magnetic behaviour of their iron(II) complexes. The structure of [FeL2][ClO4]2.H2O, L = (1a), was determined by single-crystal X-ray diffractometry . The complex cation has the meridional configuration with the ligand functioning as an approximately planar tridentate. The structural parameters relating to the Fe-N6 coordination sphere are remarkably similar to those found for bis (2,2′:6′, 2′- terpyridine )iron(II) bis ( perchlorate ) monohydrate.

STUDY OF LOCAL STRUCTURE IN UNDER-DOPED La2-xSrxCuO4-y BY POLARIZED EXAFS

2002 ◽  
Vol 16 (11n12) ◽  
pp. 1641-1648 ◽  
Author(s):  
K. B. GARG ◽  
C. SANCHEZ ◽  
J. GARCIA ◽  
J. BLASCO ◽  
R. K. SINGHAL ◽  
...  
Keyword(s):  
Fine Structure ◽  
Single Crystal ◽  
Temperature Dependence ◽  
Local Structure ◽  
X Ray ◽  
Absorption Fine ◽  
Local Lattice ◽  
X Ray Absorption

Temperature dependence of local structure of the CuO 2 plane has been studied by in plane polarized (E//ab) Cu K-edge extended X-ray absorption fine structure (EXAFS) experiments on an under-doped single crystal of superconducting La1.87Sr0.13CuO 4-y system with T c =32  K . The temperature dependence of the Debye–Waller factors for the Cu-O and Cu-La/Sr pairs are determined. We find that the motion of Cu and O atoms in the Cu-O bond is partially correlated at higher temperatures, going over to an uncorrelated motion at lower temperatures. The results are discussed in terms of the local lattice instabilities and stripes as reported in other systems.

Strukturverfeinerung von Kalium - periodat bei 297 und 150 K/Structure Refinement of Potassium Periodate at 297 and 150 K

1996 ◽  
Vol 51 (3) ◽  
pp. 444-446 ◽  
Author(s):  
Danita de Waal ◽  
Klaus-Jürgen Range
Keyword(s):  
Low Temperature ◽  
Single Crystal ◽  
Structural Parameters ◽  
Structure Refinement ◽  
Potassium Periodate ◽  
Space Group ◽  
X Ray ◽  
Two Temperatures

Abstract The scheelitetype structure of potassium perio­date, KIO4, has been confirmed and refined from single-crystal X-ray data at two temperatures. The compound crystallizes tetragonally, space group I41/a, with a = 5.726(1), c = 12.607(4) Å at 297(1) K, and a = 5.704(3), c = 12.478(8) Å at 150(1) K, respectively. Except for a significant decrease in the anisotropic displacement factors, the changes in the structural parameters at low temperature are rather small.

scholarly journals Crystal Structure and Dielectric Property of Endohedral Lithium Fullerene

2014 ◽  
Vol 70 (a1) ◽  
pp. C195-C195
Author(s):  
Shinobu Aoyagi ◽  
Kunihisa Sugimoto ◽  
Hiroshi Okada ◽  
Norihisa Hoshino ◽  
Tomoyuki Akutagawa
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Dielectric Property ◽  
Low Temperature ◽  
Dielectric Permittivity ◽  
Single Crystal ◽  
Temperature Dependence ◽  
Structure Analysis ◽  
X Ray ◽  
Dielectric Phase

Endohedral lithium fullerene Li+@C60 can have a dielectric polarization by the off-centered location of the Li+ cation inside the C60 cage. The x-ray structure analysis of the PF6– salt [Li@C60](PF6) revealed that the Li+ cation occupies two off-centered equivalent positions at 20 K and hence the crystal is non-polar [1]. The disordered structure at low temperature is explained by a static orientation disorder of polar Li+@C60 cations and/or a dynamic tunneling of the Li+ cation inside the C60 cage. The Li+ tunneling would be suppressed by an intermolecular interaction at lower temperature and a dielectric phase transition might be induced. We reveal the dielectric property and crystal structure of [Li@C60](PF6) below 20 K in this study. The temperature dependence of the dielectric permittivity was measured for the single crystal down to 9 K. The dielectric permittivity increases with decreasing temperature according to the Curie-Weiss law. Such a behavior was also observed in H2O@C60 crystal but not in empty C60 crystal [2]. No dielectric phase transition was observed in H2O@C60 down to 8 K. In contrast, a dielectric anomaly suggesting a phase transition was observed in [Li@C60](PF6) around 18 K. The single-crystal x-ray diffraction experiment below 20 K was also performed at SPring-8 BL02B1. The crystal has a cubic structure at 20 K [1]. The temperature dependence of the cubic lattice constant shows no anomaly around 18 K. However, diffraction peaks that are forbidden for the given structure appear below 18 K. Thus the crystal symmetry is lowered by the dielectric phase transition. We present the result of the crystal structure analysis of the newly discovered low-temperature phase.

Ionic Conductivity of Li2ZnTi3O8 Single Crystal

2011 ◽  
Vol 497 ◽  
pp. 26-30 ◽  
Author(s):  
Shinichi Furusawa ◽  
Hiroshi Ochiai ◽  
Khoji Murayama
Keyword(s):  
Ionic Conductivity ◽  
Single Crystal ◽  
Temperature Dependence ◽  
Single Crystals ◽  
Powder Diffraction ◽  
Floating Zone ◽  
Zinc Titanate ◽  
X Ray ◽  
Temperature Range ◽  
First Time

Single crystals of lithium zinc titanate (Li2ZnTi3O8) were grown in a double-mirror type optical floating-zone furnace for the first time. Single crystals were characterized by X-ray powder diffraction and Laue measurements. The ionic conductivity of the single crystals was measured in the temperature range of 400–700 K. Below 600 K, the ionic conductivity of the single crystal is one to two orders of magnitude higher than that of polycrystalline Li2ZnTi3O8. In the temperature range of 550–600 K, the temperature dependence of the ionic conductivity shows non-Arrhenius behaviour.

Temperature dependence of the silver distribution in Ag2MnP2S6 by single crystal X-ray diffraction

1993 ◽  
Vol 203 (2) ◽  
Author(s):  
A. van der Lee ◽  
F. Boucher ◽  
M. Evain ◽  
R. Brec
Keyword(s):  
Single Crystal ◽  
Temperature Dependence ◽  
Layered Compound ◽  
X Ray Diffraction ◽  
X Ray

AbstractThe Ag distribution in the layered compound Ag

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