AN X-RAY- AND NEUTRON-DIFFRACTION STUDY OF SYNTHETIC FERRICOPIAPITE, Fe14/3(SO4)6(OD,OH)2(D2O,H2O)20, AND AB INITIO CALCULATIONS ON THE STRUCTURE OF MAGNESIOCOPIAPITE, MgFe4(SO4)6(OH)2(H2O)20

2006 ◽  
Vol 44 (5) ◽  
pp. 1227-1237 ◽  
Author(s):  
J. Majzlan ◽  
B. Kiefer
Keyword(s):  
Neutron Diffraction ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Diffraction Study ◽  
Neutron Diffraction Study ◽  
X Ray

Neutron diffraction study and ab-initio calculations of nanostructured doped ZnO

2012 ◽  
Vol 536 ◽  
pp. 66-72 ◽  
Author(s):  
M. Bououdina ◽  
N. Mamouni ◽  
O.M. Lemine ◽  
A. Al-Saie ◽  
A. Jaafar ◽  
...  
Keyword(s):  
Neutron Diffraction ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Diffraction Study ◽  
Neutron Diffraction Study ◽  
Doped Zno

Composition of cementite in the dependence on the temperature. In situ neutron diffraction study and Ab initio calculations

JETP Letters ◽  
2010 ◽  
Vol 91 (3) ◽  
pp. 143-146 ◽  
Author(s):  
V. I. Voronin ◽  
I. F. Berger ◽  
Yu. N. Gornostyrev ◽  
V. N. Urtsev ◽  
A. R. Kuznetsov ◽  
...  
Keyword(s):  
Neutron Diffraction ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Diffraction Study ◽  
Neutron Diffraction Study ◽  
In Situ Neutron Diffraction

X-ray and neutron diffraction study of the defect crystal structure of the as-grown nonstoichiometric phase Y0.715Ca0.285F2.715

2013 ◽  
Vol 58 (4) ◽  
pp. 575-585 ◽  
Author(s):  
N. B. Bolotina ◽  
A. I. Kalyukanov ◽  
T. S. Chernaya ◽  
I. A. Verin ◽  
I. I. Buchinskaya ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Neutron Diffraction ◽  
Diffraction Study ◽  
Neutron Diffraction Study ◽  
Nonstoichiometric Phase ◽  
X Ray ◽  
Defect Crystal

Experimental evidence for the amino-group non-planarity in nitroanilines: neutron diffraction study of 2-methyl-5-nitroaniline at 100 K

1999 ◽  
Vol 55 (2) ◽  
pp. 209-215 ◽  
Author(s):  
Javier Ellena ◽  
Andrés E. Goeta ◽  
Judith A. K. Howard ◽  
Chick C. Wilson ◽  
Juan C. Autino ◽  
...  
Keyword(s):  
Molecular Recognition ◽  
Neutron Diffraction ◽  
Experimental Evidence ◽  
Diffraction Study ◽  
Title Compound ◽  
Neutron Diffraction Study ◽  
Amino Group ◽  
X Ray ◽  
Related Compounds ◽  
Centrosymmetric Dimers

An appreciable degree of pyramidalization of the amine N atom is observed in the title compound. The existence of polar chains, induced by N—H...O synthons, is confirmed. C—H...O interactions, not noted in a previous X-ray study, were found to stabilize further the known head-to-tail assembling of the chains. The structure can be described as non-polar (101) layers, embodying chains interlinked by centrosymmetric dimers, connected by C(aryl)—H...π interactions. The latter are not present in m-nitroaniline, 2-methyl-4-nitroaniline and other related compounds with chains built from similar N—H...O synthons and assembled head-to-head. This finding implies that an obvious relationship between molecular recognition patterns and crystal structures should not be assumed.

Powder X-ray and neutron diffraction study of the superconductor Bi2Sr2CaCu2O8

1988 ◽  
Vol 153-155 ◽  
pp. 623-624 ◽  
Author(s):  
P. Bordet ◽  
J.J. Capponi ◽  
C. Chaillout ◽  
J. Chenavas ◽  
A.W. Hewat ◽  
...  
Keyword(s):  
Neutron Diffraction ◽  
Diffraction Study ◽  
Neutron Diffraction Study ◽  
X Ray

X-ray and neutron diffraction study of H5Ir[P(iso-Pr)3]2

1985 ◽  
Vol 107 (24) ◽  
pp. 7212-7213 ◽  
Author(s):  
Luigi Garlaschelli ◽  
Saeed I. Khan ◽  
Robert Bau ◽  
Giuliano Longoni ◽  
Thomas F. Koetzle
Keyword(s):  
Neutron Diffraction ◽  
Diffraction Study ◽  
Neutron Diffraction Study ◽  
X Ray

ChemInform Abstract: X-Ray and Neutron Diffraction Study of H5Ir[P(iPr)3]2.

1986 ◽  
Vol 17 (12) ◽  
Author(s):  
L. GARLASCHELLI ◽  
S. I. KHAN ◽  
R. BAU ◽  
G. LONGONI ◽  
T. F. KOETZLE
Keyword(s):  
Neutron Diffraction ◽  
Diffraction Study ◽  
Neutron Diffraction Study ◽  
X Ray
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