scholarly journals Crystal structure of mullite-type PbMn0.5Al0.5BO4 determined by combined X-ray and neutron diffraction data

2012 ◽  
Vol 227 (3) ◽  
pp. 285-286 ◽  
Author(s):  
Thorsten M. Gesing ◽  
et al.
Keyword(s):  
Crystal Structure ◽  
Neutron Diffraction ◽  
Diffraction Data ◽  
Neutron Diffraction Data ◽  
X Ray

Crystal structure of aquabis(dimethylglyoximato)nitrocobalt(III) based on neutron diffraction data

1999 ◽  
Vol 214 (1) ◽  
Author(s):  
U. Englert ◽  
G. Heger ◽  
E. Kümmerle ◽  
R. Wang
Keyword(s):  
Crystal Structure ◽  
Neutron Diffraction ◽  
Single Crystal ◽  
Diffraction Data ◽  
Neutron Diffraction Data ◽  
X Ray

AbstractSingle crystal neutron diffraction confirmed previously reported X-ray results: Co(Hdmg)

Crystal Structure of the Compound Bi2Zn2/3Nb4/3O7

2002 ◽  
Vol 17 (6) ◽  
pp. 1406-1411 ◽  
Author(s):  
Igor Levin ◽  
Tammy G. Amos ◽  
Juan C. Nino ◽  
Terrell A. Vanderah ◽  
Ian M. Reaney ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Neutron Diffraction ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Neutron Powder Diffraction ◽  
Neutron Diffraction Data ◽  
Structural Refinement ◽  
Large Component ◽  
X Ray ◽  
Thermal Displacements

The crystal structure of Bi2Zn2/3Nb4/3O7 was determined using a combination of electron, x-ray, and neutron powder diffraction. The compound crystallizes with a monoclinic zirconolite-like structure [C2/c (No.15) space group, a = 13.1037(9) Å, b = 7.6735(3) Å, c = 12.1584(6) Å, β = 101.318(5)°]. According to structural refinement using neutron diffraction data, Nb preferentially occupies six-fold coordinated sites in octahedral sheets parallel to the (001) planes, while Zn is statistically distributed between two half-occupied (5 + 1)-fold coordinated sites near the centers of six-membered rings of [Nb(Zn)O6] octahedra. The Nb/Zn cation layers alternate along the c-axis with Bi-layers, in which Bi cations occupy both eight- and seven-fold coordinated sites. The eight-fold coordinated Bi atoms exhibited strongly anisotropic thermal displacements with an abnormally large component directed approximately along the c-axis (normal to the octahedral layers).

Design of a novel Peltier-based cooling device and its use in neutron diffraction data collection of perdeuterated yeast pyrophosphatase

2010 ◽  
Vol 43 (5) ◽  
pp. 1113-1120 ◽  
Author(s):  
Esko Oksanen ◽  
François Dauvergne ◽  
Adrian Goldman ◽  
Monika Budayova-Spano
Keyword(s):  
Data Collection ◽  
Neutron Diffraction ◽  
Diffraction Data ◽  
Catalytic Mechanism ◽  
Inorganic Pyrophosphatase ◽  
Neutron Diffraction Data ◽  
Cooling Device ◽  
Data Set ◽  
X Ray ◽  
X Ray Crystallography

H atoms play a central role in enzymatic mechanisms, but H-atom positions cannot generally be determined by X-ray crystallography. Neutron crystallography, on the other hand, can be used to determine H-atom positions but it is experimentally very challenging. Yeast inorganic pyrophosphatase (PPase) is an essential enzyme that has been studied extensively by X-ray crystallography, yet the details of the catalytic mechanism remain incompletely understood. The temperature instability of PPase crystals has in the past prevented the collection of a neutron diffraction data set. This paper reports how the crystal growth has been optimized in temperature-controlled conditions. To stabilize the crystals during neutron data collection a Peltier cooling device that minimizes the temperature gradient along the capillary has been developed. This device allowed the collection of a full neutron diffraction data set.

Relationship between the defect structure and fluorine-ion conductivity of La1 − y Sr y F3 − y (0 ⩽ y ⩽ 0.15) crystals according to X-ray and neutron diffraction data

2015 ◽  
Vol 60 (3) ◽  
pp. 346-360 ◽  
Author(s):  
N. B. Bolotina ◽  
T. S. Chernaya ◽  
A. I. Kalyukanov ◽  
I. A. Verin ◽  
N. I. Sorokin ◽  
...  
Keyword(s):  
Neutron Diffraction ◽  
Diffraction Data ◽  
Defect Structure ◽  
Ion Conductivity ◽  
Neutron Diffraction Data ◽  
X Ray

Crystal structure and second harmonic generation in Bi2TeO5: An X-N study from synchrotron and neutron diffraction data

2019 ◽  
Vol 276 ◽  
pp. 122-127 ◽  
Author(s):  
C.A. López ◽  
E. Bâati ◽  
M.T. Fernández-Díaz ◽  
F.O. Saouma ◽  
J.I. Jang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Neutron Diffraction ◽  
Second Harmonic Generation ◽  
Harmonic Generation ◽  
Diffraction Data ◽  
Second Harmonic ◽  
Neutron Diffraction Data
Sign in / Sign up

Export Citation Format

Share Document