ChemInform Abstract: Structure Determination of ζ-Fe2N by Neutron and Synchrotron Powder Diffraction.

ChemInform ◽  
2010 ◽  
Vol 27 (30) ◽  
pp. no-no
Author(s):  
D. RECHENBACH ◽  
H. JACOBS
Keyword(s):  
Powder Diffraction ◽  
Structure Determination ◽  
Synchrotron Powder Diffraction ◽  
Abstract Structure

Structure determination of two intercalated compounds VOPO4·(CH2)4O and VOPO4·OH—(CH2)2—O—(CH2)2—OH; synchrotron powder diffraction and molecular modelling

2001 ◽  
Vol 57 (2) ◽  
pp. 178-183 ◽  
Author(s):  
Kees Goubitz ◽  
Pavla Čapková ◽  
Klára Melánová ◽  
Wim Molleman ◽  
Henk Schenk
Keyword(s):  
Powder Diffraction ◽  
Structure Determination ◽  
Crystal Packing ◽  
Geometrical Parameters ◽  
Vanadyl Phosphate ◽  
Guest Molecules ◽  
Intercalated Compounds ◽  
Synchrotron Powder Diffraction ◽  
Layer Stacking

The crystal structures of two intercalated compounds have been determined using a combination of synchrotron powder diffraction and molecular mechanics simulations: (1) vanadyl phosphate intercalated with tetrahydrofuran, VOPO4·(CH2)4O, and (2) vanadyl phosphate intercalated with diethylene glycol, VOPO4·HO(CH2)2O(CH2)2OH. Both intercalates preserve the tetragonal space group P4/n, as found in the host structure VOPO4·2H2O. (1): a = 6.208, c = 8.930 Å, Z = 2, Dx = 2.51 g cm−3; (2): a = 6.223, c = 11.417 Å, Z = 2, Dx  = 2.66 g cm−3. Both intercalates exhibit the same type of orientational disorder in the arrangement of guest molecules, as observed in the same host compound intercalated with water. These two intercalates also exhibit, rather surprisingly, perfect ordering in layer stacking without the displacement disorder, characteristic of many intercalated layered structures. Thanks to this regularity in the arrangement of guests and layers, synchrotron powder diffraction could be used in the present structure determination. The present results also enabled the analysis of the effect of geometrical parameters characterizing the mutual host–guest complementarity and the effect of host–guest and guest–guest interaction on the crystal packing of intercalates.

ChemInform Abstract: Structure Determination of Ba(OD)Br×2 D2O by Neutron Powder Diffraction.

ChemInform ◽  
2010 ◽  
Vol 22 (22) ◽  
pp. no-no
Author(s):  
T. KELLERSOHN ◽  
K. BECKENKAMP ◽  
H. D. LUTZ ◽  
E. JANSEN
Keyword(s):  
Powder Diffraction ◽  
Structure Determination ◽  
Neutron Powder Diffraction ◽  
Abstract Structure

Structure determination of two metal-organic complexes from high-resolution synchrotron powder diffraction data

2001 ◽  
Vol 8 (6) ◽  
pp. 1186-1190 ◽  
Author(s):  
Eva Dova ◽  
Kees Goubitz ◽  
Arjen van Langevelde ◽  
René Driessen ◽  
Taasje Mahabiersing ◽  
...  
Keyword(s):  
High Resolution ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Structure Determination ◽  
Powder Diffraction Data ◽  
Organic Complexes ◽  
Synchrotron Powder Diffraction ◽  
Metal Organic
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