[PDF][PDF] Inorganic structure prediction with GRINSP
A Le Bail - Journal of applied crystallography, 2005 - journals.iucr.org
A new computer program is described, GRINSP (geometrically restrained inorganic structure
prediction), which allows the exploration of the possibilities of occurrence of 3-, 4-, 5-and 6 …
prediction), which allows the exploration of the possibilities of occurrence of 3-, 4-, 5-and 6 …
t-AlF3: Crystal structure determination from X-ray powder diffraction data. A new MX3 corner-sharing octahedra 3D network
A Le Bail, JL Fourquet, U Bentrup - Journal of Solid State Chemistry, 1992 - Elsevier
Abstract t-AlF 3 is obtained from the thermolysis of [(CH 3) 4 N] AlF 4· H 2 O or amorphous
AlF 3· xH 2 O (x< 0.5). The structure is determined from X-ray powder diffraction data by the …
AlF 3· xH 2 O (x< 0.5). The structure is determined from X-ray powder diffraction data by the …
The quaternary fluoride LiNaCa2Al2F12 in aluminum electrolytes: synthesis, structure, thermal stability
SD Kirik, AS Samoilo, YN Zaitseva, AN Zaloga… - Journal of Solid State …, 2023 - Elsevier
The quaternary fluoride phase LiNaCa 2 Al 2 F 12 has been obtained by quenching a melt
consisting of a stoichiometric mixture of the corresponding simple fluorides at a temperature …
consisting of a stoichiometric mixture of the corresponding simple fluorides at a temperature …
Hypothetical AlF3 crystal structures
A Le Bail, F Calvayrac - Journal of Solid State Chemistry, 2006 - Elsevier
Applying a structure prediction computer programme (GRINSP= Geometrically Restrained
INorganic Structure Prediction), the occurrence of 6-connected 3D networks was …
INorganic Structure Prediction), the occurrence of 6-connected 3D networks was …
Advances in Structural Analysis of Fluoroaluminates Using DFT Calculations of 27Al Electric Field Gradients
Based on the analysis of 23 aluminum sites from 16 fluoroaluminates, the present work
demonstrates the strong potential of combining accurate NMR quadrupolar parameter …
demonstrates the strong potential of combining accurate NMR quadrupolar parameter …
One step synthesis of Ce3+ activated aluminofluoride powders
PD Belsare, CP Joshi, SV Moharil, SK Omanwar… - Optical Materials, 2009 - Elsevier
One step, wet chemical synthesis of several aluminofluorides is described. Formation of
single phase compounds was confirmed by XRD. Ce3+ activation was achieved during the …
single phase compounds was confirmed by XRD. Ce3+ activation was achieved during the …
Multinuclear High-Resolution NMR Study of Compounds from the Ternary System NaF−CaF2−AlF3: from Determination to Modeling of NMR Parameters
27Al and 23Na NMR satellite transition spectroscopy and 3Q magic-angle-spinning spectra
are recorded for three compounds from the ternary NaF− CaF2− AlF3 system. The …
are recorded for three compounds from the ternary NaF− CaF2− AlF3 system. The …
Thermal transformation of quaternary compounds in NaF–CaF2–AlF3 system
JN Zaitseva, IS Yakimov, SD Kirik - Journal of Solid State Chemistry, 2009 - Elsevier
Details of quaternary compounds formation in the system NaF–CaF2–AlF3 are specified. To
achieve this aim, the samples of phases NaCaAlF6 and Na2Ca3Al2F14 have been obtained …
achieve this aim, the samples of phases NaCaAlF6 and Na2Ca3Al2F14 have been obtained …
Verneite, Na2Ca3Al2F14, a New Aluminum Fluoride Mineral from Icelandic and Vesuvius Fumaroles
T Balić-Žunić, A Garavelli, D Pinto, D Mitolo - Minerals, 2018 - mdpi.com
Verneite, Na2Ca3Al2F14, is a new mineral first discovered in fumarolic samples from both
Hekla, Iceland and Vesuvius, Italy. Additional occurrences are so far from Eldfell and …
Hekla, Iceland and Vesuvius, Italy. Additional occurrences are so far from Eldfell and …
Frontiers between crystal structure prediction and determination by powder diffractometry
A Le Bail - Powder Diffraction, 2008 - cambridge.org
The fuzzy frontiers between structure determination by powder diffractometry and crystal
structure prediction are discussed. The application of a search-match program combined …
structure prediction are discussed. The application of a search-match program combined …