scholarly journals Structure of Ba10Ge50from electron diffraction/X-ray powder diffraction data

2010 ◽  
Vol 66 (a1) ◽  
pp. s65-s65 ◽  
Author(s):  
Wilder Carrillo-Cabrera
Keyword(s):  
Electron Diffraction ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Powder Diffraction Data ◽  
X Ray

Brianyoungite, a new mineral related to hydrozincite, from the north of England orefield

1993 ◽  
Vol 57 (389) ◽  
pp. 665-670 ◽  
Author(s):  
A. Livingstone ◽  
P. E. Champness
Keyword(s):  
Thermogravimetric Analysis ◽  
Electron Diffraction ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Empirical Formula ◽  
New Mineral ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Cell Parameters ◽  
The North

AbstractBrianyoungite, which is chemically and structurally related to hydrozincite, occurs as white rosettes (<100 μm) with gypsum on rubbly limestone within the oxidised zone at Brownley Hill Mine, Nenthead, Cumbria. The mineral contains (wt.%) 71.47 ZnO, 9.90 CO2, 6.62 SO3 and 10.70 H2O+. Based on 29 oxygen atoms, the empirical formula is Zn11.73[(CO3)3.00,(SO4)1.10]4.10(OH)15.88 or ideally Zn3(CO3,SO4)(OH)4. Brianyoungite is either orthorhombic or monoclinic with β very close to 90° Cell parameters determined by electron diffraction and refined from X-ray powder diffraction data are a = 15.724, b = 6.256 and c = 5.427 Å. Density is > 3.93, < 4.09 g/cm3 (meas.) and 4.11 g/cm3 (calc.); Z = 4. Thermogravimetric analysis, IR and XRD powder data (23 lines) are presented.

X-ray powder diffraction data for Al73.5Ni18.5Re8 orthorhombic phase

2008 ◽  
Vol 23 (3) ◽  
pp. 251-254 ◽  
Author(s):  
B. Grushko ◽  
S. Balanetskyy
Keyword(s):  
Electron Diffraction ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Ternary Phase ◽  
Orthorhombic Phase ◽  
Powder Diffraction Data ◽  
Orthorhombic Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Compositional Range

A ternary phase was revealed in Al-Ni-Re in a small compositional range around Al73.5Ni18.5Re8. Using powder X-ray diffraction and electron diffraction, it was found to have an orthorhombic structure with a=10.048(3) Å, b=15.423(8) Å, and c=8.367(3) Å.

scholarly journals Synthesis and Structure of Oxygen Deficient Lead-Technetium Pyrochlore, the First Example of a Valence V Technetium Oxide

2021 ◽  
Vol 9 ◽  
Author(s):  
Brendan J. Kennedy ◽  
Timothy A. Ablott ◽  
Maxim Avdeev ◽  
Melody L. Carter ◽  
Linda Losurdo ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Electron Diffraction ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Neutron Powder Diffraction ◽  
Oxygen Stoichiometry ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Neutron Powder Diffraction Data ◽  
X Ray Absorption

The structure of lead-technetium pyrochlore has been refined in space group Fd3¯m with a = 10.36584(2) Å using a combination of synchrotron X-ray and neutron powder diffraction data and confirmed via Electron Diffraction. The oxide is found to be oxygen deficient with a stoichiometry of Pb2Tc2O7-d. Displacive disorder of the Pb cations is evident from the refinements, as has been observed in Bi2Tc2O7-d. X-ray absorption spectroscopic measurements at the Tc K-edge demonstrate the valence of the Tc is greater than 4.0 as anticipated from the refined oxygen stoichiometry. Raman spectroscopy confirms the presence of disorder leading us to conclude that this pyrochlore is the first example of a valence V technetium oxide.

scholarly journals Combining precession electron diffraction data with X-ray powder diffraction data to facilitate structure solution

2008 ◽  
Vol 41 (6) ◽  
pp. 1115-1121 ◽  
Author(s):  
Dan Xie ◽  
Christian Baerlocher ◽  
Lynne B. McCusker
Keyword(s):  
Electron Diffraction ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Electron Diffraction Data ◽  
Powder Diffraction Data ◽  
Powder Charge ◽  
X Ray ◽  
Structure Solution ◽  
Precession Electron Diffraction ◽  
Using Data

Information derived from precession electron diffraction (PED) patterns can be used to advantage in combination with high-resolution X-ray powder diffraction data to solve crystal structures that resist solution from X-ray data alone. PED data have been exploited in two different ways for this purpose: (1) to identify weak reflections and (2) to estimate the phases of the reflections in the projection. The former is used to improve the partitioning of the reflection intensities within an overlap group and the latter to provide some starting phases for structure determination. The information was incorporated into a powder charge-flipping algorithm for structure solution. The approaches were first developed using data for the moderately complex zeolite ZSM-5, and then tested on TNU-9, one of the two most complex zeolites known. In both cases, including PED data from just a few projections facilitated structure solution significantly.

Use of TALP with laboratory powder diffraction data from 2D detectors

2013 ◽  
Vol 28 (S2) ◽  
pp. S481-S490
Author(s):  
Oriol Vallcorba ◽  
Anna Crespi ◽  
Jordi Rius ◽  
Carles Miravitlles
Keyword(s):  
Organic Compounds ◽  
Structural Study ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Powder Pattern ◽  
Experimental Setup ◽  
Intensity Data ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Molecular Compounds

The viability of the direct-space strategy TALP (Vallcorba et al., 2012b) to solve crystal structures of molecular compounds from laboratory powder diffraction data is shown. The procedure exploits the accurate metric refined from a ‘Bragg-Brentano’ powder pattern to extract later the intensity data from a second ‘texture-free’ powder pattern with the DAJUST software (Vallcorba et al., 2012a). The experimental setup for collecting this second pattern consists of a circularly collimated X-ray beam and a 2D detector. The sample is placed between two thin Mylar® foils, which reduces or even eliminates preferred orientation. With the combination of the DAJUST and TALP software a preliminary but rigorous structural study of organic compounds can be carried out at the laboratory level. In addition, the time-consuming filling of capillaries with diameters thinner than 0.3mm is avoided.

Solving a superstructure from two-wavelength x-ray powder diffraction data - a simulation

2003 ◽  
Vol 12 (3) ◽  
pp. 310-314
Author(s):  
Chen Jian-Rong ◽  
Gu Yuan-Xin ◽  
Fan Hai-Fu
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Powder Diffraction Data ◽  
X Ray

Crystallographic study of ternary ordered skutterudite IrGe1.5Se1.5

2010 ◽  
Vol 25 (3) ◽  
pp. 247-252 ◽  
Author(s):  
F. Laufek ◽  
J. Návrátil
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Rietveld Method ◽  
Crystallographic Data ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Crystallographic Study ◽  
Related Phase ◽  
The Ideal

The crystal structure of skutterudite-related phase IrGe1.5Se1.5 has been refined by the Rietveld method from laboratory X-ray powder diffraction data. Refined crystallographic data for IrGe1.5Se1.5 are a=12.0890(2) Å, c=14.8796(3) Å, V=1883.23(6) Å3, space group R3 (No. 148), Z=24, and Dc=8.87 g/cm3. Its crystal structure can be derived from the ideal skutterudite structure (CoAs3), where Se and Ge atoms are ordered in layers perpendicular to the [111] direction of the original skutterudite cell. Weak distortions of the anion and cation sublattices were also observed.

X-ray powder diffraction data for Ba3MnSi2O8—A new phase in the system BaO–MnO–SiO2

1996 ◽  
Vol 11 (1) ◽  
pp. 26-27 ◽  
Author(s):  
Irena Georgieva ◽  
Ivan Ivanov ◽  
Ognyan Petrov
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Data Interpretation ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
New Phase

A new compound—Ba3MnSi2O8 in the system BaO–MnO–SiO2 was synthesized and studied by powder X-ray diffraction. The compound is hexagonal, space group—P6/mmm, a=5.67077 Å, c=7.30529 Å, Z=1, Dx=5.353. The obtained powder X-ray diffractometry (XRD) data were interpreted by the Powder Data Interpretation Package.

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