Crystal structure refinement of Sn3Sb2S6 by high-resolution neutron powder diffraction

1984 ◽  
Vol 19 (4) ◽  
pp. 503-508 ◽  
Author(s):  
J.B Parise ◽  
P.P.K Smith ◽  
C.J Howard
Keyword(s):  
Crystal Structure ◽  
High Resolution ◽  
Powder Diffraction ◽  
Structure Refinement ◽  
Neutron Powder Diffraction ◽  
Crystal Structure Refinement

The ab initio crystal structure determination of vapour-deposited methyl fluoride by high-resolution neutron powder diffraction

1996 ◽  
Vol 52 (5) ◽  
pp. 892-895 ◽  
Author(s):  
R. M. Ibberson ◽  
M. Prager
Keyword(s):  
Crystal Structure ◽  
High Resolution ◽  
Ab Initio ◽  
Bond Length ◽  
Powder Diffraction ◽  
Structure Refinement ◽  
Neutron Powder Diffraction ◽  
Methyl Halides ◽  
Methyl Fluoride ◽  
Neutron Powder Diffraction Data

The crystal structure of methyl fluoride (m.p. = 131 K, b.p. = 195 K) at 5 K has been solved ab initio from high-resolution neutron powder diffraction data. A good quality powder sample was produced using a vapour deposition technique and enabled an accurate and precise structure refinement to be carried out; the C—F bond length is 1.399 (4) Å, and the average C—D bond length is 1.070 (4) Å. The monoclinic structure may be described in terms of dipole-dipole intermolecular interactions and is distinct from the structures of the other methyl halides.

Crystal structure of potassium tetraperoxomolybdate (VI) K2[Mo(O2)4]

2005 ◽  
Vol 20 (3) ◽  
pp. 203-206 ◽  
Author(s):  
M. Grzywa ◽  
M. Różycka ◽  
W. Łasocha
Keyword(s):  
Crystal Structure ◽  
Low Temperature ◽  
Diffraction Pattern ◽  
Powder Diffraction ◽  
Rietveld Method ◽  
Structure Refinement ◽  
Crystal Structure Refinement ◽  
Unit Cell Parameters ◽  
X Ray ◽  
Cell Parameters

Potassium tetraperoxomolybdate (VI) K2[Mo(O2)4] was prepared, and its X-ray powder diffraction pattern was recorded at low temperature (258 K). The unit cell parameters were refined to a=10.7891(2) Å, α=64.925(3)°, space group R−3c (167), Z=6. The compound is isostructural with potassium tetraperoxotungstate (VI) K2[W(O2)4] (Stomberg, 1988). The sample of K2[Mo(O2)4] was characterized by analytical investigations, and the results of crystal structure refinement by Rietveld method are presented; final RP and RWP are 9.79% and 12.37%, respectively.

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