Crystal structure determination of Hägg carbide,χ-Fe5C2by first-principles calculations and Rietveld refinement

2012 ◽  
Vol 227 (4) ◽  
pp. 207-220 ◽  
Author(s):  
Andreas Leineweber ◽  
Shunli Shang ◽  
Zi-Kui Liu ◽  
Marc Widenmeyer ◽  
Rainer Niewa
Keyword(s):  
Crystal Structure ◽  
Rietveld Refinement ◽  
Structure Determination ◽  
First Principles ◽  
Crystal Structure Determination ◽  
First Principles Calculations

scholarly journals Synthesis and X-Ray Crystal Structure Determination of Thiotrithiazyl Iododichloride, S4N3ICl2

2002 ◽  
Vol 57 (12) ◽  
pp. 1387-1390 ◽  
Author(s):  
Stephan H. Irsen ◽  
Richard Dronskowski
Keyword(s):  
Crystal Structure ◽  
Rietveld Refinement ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
Crystal Chemical ◽  
Monoclinic System ◽  
X Ray

Thiotrithiazyl iododichloride, S4N3ICl2, has been synthesized from molecular S4N4 and liquid ICl and structurally characterized by an X-ray Rietveld refinement. S4N3ICl2 crystallizes in the monoclinic system (P21/c, a = 611.548(7), b = 877.336(8), c = 1770.12(2) pm, β = 92.3357(7)°, Z = 4), follows the crystal-chemical motif (S4N3+)(ClICl−), and is thus isotypic with (S4N3+ )(Br3− ). The crystal structure contains a planar S4N3+ ring and a linear ClICl− unit.

Vom Fluorsilan zum Siloxan — 1,3-Silylgruppenwanderung am Si3CSiO-Gerüst/ From a Fluorosilane to a Siloxane — 1,3-Migration of Silyl Groups in the Si3CSiO System

1985 ◽  
Vol 40 (8) ◽  
pp. 1023-1028 ◽  
Author(s):  
Uwe Klingebiel ◽  
Sabine Pohlmann ◽  
Lutz Skoda ◽  
Cornelia Lensch ◽  
George M. Sheldrick
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Crystal Structure Determination ◽  
Silyl Groups ◽  
Trimethylsilyl Groups

AbstractThe nature of the products which are formed in the reaction of tris(trimethylsilyl)Methylfluorosilanes (Me3Si)3C -SiF2R with KOH depends on the bulkiness of the substituents R. The condensed siloxane is obtained for R = F . The crystal structure determination of this siloxane (Me3Si)3C -SiF2-O -SiF2-C (SiMe3)3 shows that the Si -O - Si unit is linear. A fluorosilanol as well as a siloxane could be isolated for R = Me. 1,3-Migration of one or two trimethylsilyl groups from the carbon to the oxygen takes place for R = phenyl, rm-butyl or silylamine, with formation of siloxanes which are isomeres o f the expected silanols.

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