Pressure-cooking of explosives—the crystal structure of ε-RDX as determined by X-ray and neutron diffraction

Abstract LaAlSi2 (a = 4.196(2), c = 11.437(7) Å; P3̄ml; Z = 2) was synthesized by arc-melting of preheated mixtures of the elements. The compound was investigated by means of X-ray methods and by neutron diffraction. The crystal structure can be described as a stacking variant of two different segments. The first one corresponds to the CaAl2Si2 structure type (LaAl2Si2), the second one with the A1B2 structure type (LaSi2). The segments are stacked along [001]. The electronic structure of the compound is discussed on the basis of LMTO band structure calculations.

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X-Ray and neutron diffraction study of alums

Zeitschrift für Kristallographie - Crystalline Materials ◽

10.1524/zkri.1981.157.3-4.147 ◽

1981 ◽

Vol 157 (3-4) ◽

Cited By ~ 13

Author(s):

A. M. Abdeen ◽

G. Will ◽

W. Schäfer ◽

A. Kirfel ◽

M. O. Bargouth ◽

...

Keyword(s):

Crystal Structure ◽

Neutron Diffraction ◽

Diffraction Study ◽

Neutron Diffraction Study ◽

X Ray

AbstractThe crystal structure of the alums, (NHThe atoms of the cation groups (NH

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The crystal structure of 5-O-Acetyl-1,2 : 3,4-di-O-isopropylidene-α-D-glucoseptanose, C14H22O7, by use of X-ray and neutrondiffraction data

Australian Journal of Chemistry ◽

10.1071/ch9832269 ◽

1983 ◽

Vol 36 (11) ◽

pp. 2269 ◽

Cited By ~ 7

Author(s):

RA Wood ◽

VJ James ◽

AD Rae ◽

JD Stevens ◽

FH Moore

Keyword(s):

Crystal Structure ◽

Neutron Diffraction ◽

Diffraction Analysis ◽

Chair Conformation ◽

Asymmetric Unit ◽

Methyl Group ◽

Neutron Diffraction Analysis ◽

X Ray ◽

Acetate Methyl ◽

Independent Molecules

The crystal structure of 5-O-acetyl-1,2:3,4-di-O-isopropylidene-α-D-glucoseptanose [P212121, Z 8, a 14.329(5), b 22.075(5), c 10.012(5) �] has been determined by X-ray and neutron diffraction analyses. For the neutron diffraction analysis, the acetate group and the trans-O-isopropylidene group were deuterated. Constrained refinement was used in the neutron diffraction analysis to counter over parameterization in the block-diagonal least-squares refinement. Final unweighted R-values were 0.038 [X-ray for 3070 reflections with [Fo > 2.58σ (Fo)] and 0.061 [neutron for 1118 reflections with Fo > 4σ ([Fo)]The neutron refinement revealed a disordering of the acetate methyl group in each of the two independent molecules in the asymmetric unit. The septanose ring in each molecule adopted the same twist-chair conformation but the dioxolan rings assumed different twist and envelope conformations.

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NEUTRON DIFFRACTION STUDY ON (Bi−Pb)2Sr2Ca2Cu3O10

Modern Physics Letters B ◽

10.1142/s0217984990000970 ◽

1990 ◽

Vol 04 (12) ◽

pp. 791-794 ◽

Cited By ~ 4

Author(s):

YANG JI-LIAN ◽

YE CHUN-TANG ◽

ZHANG BAI-SHENG ◽

LI JI-ZHOU ◽

KANG JIAN ◽

...

Keyword(s):

Crystal Structure ◽

Neutron Diffraction ◽

Diffraction Study ◽

Single Phase ◽

Polycrystalline Sample ◽

Neutron Diffraction Study ◽

Structure Study ◽

X Ray Diffraction ◽

Space Group ◽

X Ray

The polycrystalline sample of (Bi–Pb)2Sr2Ca2Cu3O10 with Tc=107 K was prepared. The X-ray diffraction proved that the sample is single phase. The crystal structure study on the sample has been carried out by neutron diffraction. The result shows that its structure is tetragonal body-centre structure with space group of I4/mmm, containing a few oxygen atoms at 4e site in Bi–Pb layers.

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