scholarly journals Octahedral tilting in the polar hexagonal tungsten bronzes RbNbW2O9 and KNbW2O9

2019 ◽  
Vol 75 (5) ◽  
pp. 815-821
Author(s):  
Jason A. McNulty ◽  
Alexandra S. Gibbs ◽  
Philip Lightfoot ◽  
Finlay D. Morrison
Keyword(s):  
High Resolution ◽  
Neutron Diffraction ◽  
Ambient Temperature ◽  
Structural Determination ◽  
Orthorhombic Space Group ◽  
Complementary Technique ◽  
Powder Neutron Diffraction ◽  
Octahedral Tilting ◽  
Cation Size

The ambient-temperature structures (orthorhombic, space group Cmc21) of the polar hexagonal tungsten bronzes RbNbW2O9 and KNbW2O9 have been determined by high-resolution powder neutron diffraction. Displacement of the A-site cation along the polar c axis with concomitant octahedral tilting occurs to optimize the A cation bonding environment, hence reducing the coordination from 18 to 16. This effect is more evident in KNbW2O9 due to decreased A cation size. The octahedral tilting in both compositions results in a doubling of the c axis that has not previously been reported, highlighting the importance of neutron diffraction as a complementary technique for structural determination of such systems.

Structural Determination of the Hydrofullerene C60D36 by Neutron Diffraction

1998 ◽  
Vol 54 (3) ◽  
pp. 345-350 ◽  
Author(s):  
L. E. Hall ◽  
D. R. McKenzie ◽  
R. L. Davis ◽  
M. I. Attalla ◽  
A. M. Vassallo
Keyword(s):  
Neutron Diffraction ◽  
Density Function ◽  
Diffraction Data ◽  
Fourier Transformation ◽  
Structural Determination ◽  
Molecular Models ◽  
Reduced Density ◽  
C Nmr

A mixture of C60D36 with 24.5 \pm 4.5% C60 by weight has been analysed by neutron diffraction techniques. The diffraction data was converted to a reduced density function G(r) by Fourier transformation. The C60 component of the G(r) was subtracted out. This enabled a comparison for five molecular models of C60D36, with symmetries T, Th , S 6 and two D 3 d isomers, with the experimental G(r). This specimen of C60D36 was found to be best described by a T symmetry isomer, in agreement with 13C NMR and IR data for C60H36 [Attalla et al. (1993). J. Phys. Chem. pp. 6329–6331].

Powder neutron diffraction determination of the structure of the o-xylene/zeolite ZSM-5 complex

2008 ◽  
Vol 112 (1-3) ◽  
pp. 299-307 ◽  
Author(s):  
Colin A. Fyfe ◽  
J.S. Joseph Lee ◽  
Lachlan M.D. Cranswick ◽  
Ian Swainson
Keyword(s):  
Neutron Diffraction ◽  
Powder Neutron Diffraction ◽  
Diffraction Determination

High-resolution powder neutron diffraction study of helimagnetic order inCrP1−xVxO4solid solutions

2000 ◽  
Vol 62 (2) ◽  
pp. 992-997 ◽  
Author(s):  
J. P. Wright ◽  
J. P. Attfield ◽  
W. I. F. David ◽  
J. B. Forsyth
Keyword(s):  
High Resolution ◽  
Neutron Diffraction ◽  
Diffraction Study ◽  
Neutron Diffraction Study ◽  
Powder Neutron Diffraction

Problems of studying the crystal structure of Ce1−xLax11B6 solid solutions by high-resolution powder neutron diffraction

1991 ◽  
Vol 24 (2) ◽  
pp. 142-145 ◽  
Author(s):  
V. A. Trunov ◽  
A. L. Malyshev ◽  
D. Yu. Chernyshov ◽  
A. I. Kurbakov ◽  
M. M. Korsukova ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Resolution ◽  
Neutron Diffraction ◽  
Solid Solutions ◽  
Powder Neutron Diffraction

scholarly journals Refinement of the Structure of Ta2D by High-Resolution Powder Neutron Diffraction

1985 ◽  
Vol 26 (11) ◽  
pp. 795-798 ◽  
Author(s):  
Hideaki Murata ◽  
Hajime Asano ◽  
Fujio Izumi ◽  
Shoichi Tomiyoshi ◽  
Hirokatsu Iwasa ◽  
...  
Keyword(s):  
High Resolution ◽  
Neutron Diffraction ◽  
Powder Neutron Diffraction
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