Assessing Reaction Mechanisms of Graphite Negative Electrodes Based on Operando Synchrotron Radiation Diffraction Data

The orthorhombic mineral moolooite, CuC2O4. nH2O, described by Clarke and Williams (1986) using Debye-Scherrer photographic data, has a fully-disordered stacking fault (FDSF) structure. Related monoclinic models have been reported for various synthesised samples based on Schmittler (1968). In the present study, synchrotron radiation diffraction data for moolooite and synthesised specimens have been examined with particular reference to crystallographic disorder. The moolooite data correspond to space group Pnnm, with a = 5.3064(2), b = 5.6804(2), c = 2.5630(1) Å; Vc = 77.26(1) Å3; and Z = 1; and the FDSF structure along the b-direction has been confirmed. The synthetic specimen data from the study indicate partial ordering, with space group P21/n; and the cell parameters for one specimen being a = 5.957(7), b = 5.611(5), c = 5.133(7) Å; β = 115.16(2)°; Vc = 155.27 Å3 and Z = 2. The level of zeolitic water in the materials has been considered using the approach of Schmittler based on thermogravimetry and pycnometry. The new data for natural topotype material correspond to CuC2O4.1.0H2O. It is postulated that the level of water for natural and synthetic specimens may be attributed to the conditions under which the material forms.

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Average site-occupation in 3dtransition metal phases determined from conventional X-ray and synchrotron radiation diffraction data

Acta Crystallographica Section A Foundations of Crystallography ◽

10.1107/s0108767381090478 ◽

1981 ◽

Vol 37 (a1) ◽

pp. C307-C308

Author(s):

H. L. Yakel

Keyword(s):

Synchrotron Radiation ◽

Diffraction Data ◽

X Ray ◽

Site Occupation ◽

Synchrotron Radiation Diffraction ◽

Metal Phases

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Crystal structure ofN-{N-[N-acetyl-(S)-leucyl]-(S)-leucyl}norleucinal (ALLN), an inhibitor of proteasome

Acta Crystallographica Section E Crystallographic Communications ◽

10.1107/s2056989015002091 ◽

2015 ◽

Vol 71 (3) ◽

pp. 254-257 ◽

Cited By ~ 2

Author(s):

Andrzej Czerwinski ◽

Channa Basava ◽

Miroslawa Dauter ◽

Zbigniew Dauter

Keyword(s):

Crystal Structure ◽

Synchrotron Radiation ◽

Hydrogen Bonds ◽

Diffraction Data ◽

Title Compound ◽

Intermolecular Hydrogen Bonds ◽

Compound C ◽

Synchrotron Radiation Diffraction ◽

Enzyme Complexes ◽

Β Sheet

The title compound, C20H37N3O4, also known by the acronym ALLN, is a tripeptidic inhibitor of the proteolytic activity of the proteasomes, enzyme complexes implicated in several neurodegenerative diseases and other disorders, including cancer. The crystal structure of ALLN, solved from synchrotron radiation diffraction data, revealed the molecules in extended conformation of the backbone and engaging all peptide N and O atoms in intermolecular hydrogen bonds forming an infinite antiparallel β-sheet.

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Study of expanded austenite formed in plasma nitrided AISI 316L samples, using synchrotron radiation diffraction

Materials Research ◽

10.1590/1516-1439.285914 ◽

2014 ◽

Vol 17 (5) ◽

pp. 1302-1308 ◽

Cited By ~ 5

Author(s):

Marcelo Campos ◽

Sylvio Dionysio de Souza ◽

Luis Gallego Martinez ◽

Maristela Olzon-Dionysio

Keyword(s):

Synchrotron Radiation ◽

Aisi 316L ◽

Synchrotron Radiation Diffraction ◽

Expanded Austenite

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Refinement of the crystal structure of sieleckiite and revision of its symmetry

Mineralogical Magazine ◽

10.1180/minmag.2016.080.143 ◽

2017 ◽

Vol 81 (4) ◽

pp. 917-922

Author(s):

Peter Elliott

Keyword(s):

Crystal Structure ◽

Synchrotron Radiation ◽

Single Crystal ◽

Diffraction Data ◽

X Ray Diffraction ◽

Aluminium Phosphate ◽

Unit Cell Parameters ◽

X Ray ◽

Cell Parameters ◽

Phosphate Mineral

AbstractThe crystal structure of the copper aluminium phosphate mineral sieleckiite, Cu3Al4(PO4)2 (OH)12·2H2O, from the Mt Oxide copper mine, Queensland, Australia was solved from single-crystal X-ray diffraction data utilizing synchrotron radiation. Sieleckiite has monoclinic rather than triclinic symmetry as previously reported and is space group C2/m with unit-cell parameters a = 11.711(2), b = 6.9233(14), c = 9.828(2) Å, β = 92.88(3)°, V = 795.8(3) Å3and Z = 2. The crystal structure, which has been refined to R1 = 0.0456 on the basis of 1186 unique reflections with Fo > 4σF, is a framework of corner-, edge- and face- sharing Cu and Al octahedra and PO4 tetrahedra.

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