Some evidence for cation disorder in YBa2Cu3O7

1989 ◽  
Vol 40 (16) ◽  
pp. 11324-11325 ◽  
Author(s):  
J. C. Phillips
Keyword(s):  
2009 ◽  
Vol 105 (7) ◽  
pp. 07D713 ◽  
Author(s):  
Qing Ji ◽  
Bin Lv ◽  
P. F. Wang ◽  
H. L. Cai ◽  
X. S. Wu ◽  
...  

2013 ◽  
Vol 23 (44) ◽  
pp. 5477-5483 ◽  
Author(s):  
Sofie Kastbjerg ◽  
Niels Bindzus ◽  
Martin Søndergaard ◽  
Simon Johnsen ◽  
Nina Lock ◽  
...  

2016 ◽  
Vol 238 ◽  
pp. 60-67 ◽  
Author(s):  
Suliman Nakhal ◽  
Dennis Wiedemann ◽  
Bernhard Stanje ◽  
Oleksandr Dolotko ◽  
Martin Wilkening ◽  
...  

1994 ◽  
Vol 235-240 ◽  
pp. 747-748 ◽  
Author(s):  
E. Moshopoulou ◽  
P. Bordet ◽  
A. Sulpice ◽  
J.J. Capponi

2016 ◽  
Vol 28 (15) ◽  
pp. 5373-5383 ◽  
Author(s):  
Aziz Abdellahi ◽  
Alexander Urban ◽  
Stephen Dacek ◽  
Gerbrand Ceder

2020 ◽  
Vol 12 (39) ◽  
pp. 43605-43613
Author(s):  
Hiroaki Kobayashi ◽  
Takashi Tsukasaki ◽  
Yoshiyuki Ogasawara ◽  
Mitsuhiro Hibino ◽  
Tetsuichi Kudo ◽  
...  

Minerals ◽  
2020 ◽  
Vol 10 (10) ◽  
pp. 857
Author(s):  
Raveena Sukumar ◽  
Poobalasuntharam Iyngaran ◽  
Navaratnarajah Kuganathan ◽  
Alexander Chroneos

Aluminum silicate based mineral “Sillimanite” (Al2SiO5) is important in the industrial preparation of aluminum-silicon alloys and cement. In the present study classical pair potential simulations are used to examine the intrinsic defect processes, diffusion pathways of Al3+ and O2− ions together with their activation energies and promising dopants on the Al and Si sites in Al2SiO5. The cation anti-site (Al-Si) defect cluster is calculated to be the most favorable defect, highlighting the cation disorder in this material, in agreement with the experiment. The cation disorder is important as this defect can change the mechanical and chemical properties of Al2SiO5. The Al3+ ions and O2− ions migrate in the c direction with corresponding activation energies of 2.26 eV and 2.75 eV inferring slow ion diffusion. The prominent isovalent dopants on the Al and Si sites are found to be the Ga and Ge, respectively, suggesting that they can be used to prevent phase transformation and tune the properties of sillimanite.


Science ◽  
1997 ◽  
Vol 277 (5334) ◽  
pp. 1965-1967 ◽  
Author(s):  
Robert M. Hazen ◽  
Hexiong Yang
Keyword(s):  

1997 ◽  
Vol 50 (6) ◽  
pp. 539 ◽  
Author(s):  
Graham A. Bowmaker ◽  
Effendy ◽  
Robert D. Hart ◽  
John D. Kildea ◽  
Brian W. Skelton ◽  
...  

Syntheses and room-temperature single crystal X-ray structure determinations are recorded for adducts [M(EPh3)4] (ClO4), M = Cu, E = As (1), Sb (2); M = Ag, E = As (3), Sb (4), enabling comparison with analogous, previously studied MP4 and MN4 environments. The four complexes so characterized all crystallize in the familiar rhombohedral R-3 array (a ≈ 14·4, c ≈ 52 Å, hexagonal setting) with the metal and chlorine atoms located on crystallographic threefold axes. In these arrays Cu–E (axial, off axis) are 2·493(2), 2·533(1) for (1), and 2·572(1), 2·577(1) Å for (2), the disparity in the two independent M-E distances being diminished relative to those of previously studied phosphorus analogues, perhaps in consequence of increasing E size. In (3) and (4), some cation disorder is evident in respect of the ligand pnictide atom (E); for the major components Ag-E are 2·652(3), 2·680(2) in (3); 2·732(2), 2·7295(8) Å in (4). Problems associated in defining the metal atom environment geometries in the latter are, nevertheless, more satisfactorily overcome in two further determinations of nitrate salts: [Ag(SbPh3)4] (NO3) (5) is of the rhombohedral family with no cation core disorder, Ag–E (axial, off axis) being 2·720(4), 2·725(2) Å, while the structural characterization of a 1 : 4 triphenylarsine adduct of silver nitrate is recorded as its tetraethanol solvate, namely [Ag(AsPh3)4] (NO3).~ 4C2H5OH(6), monoclinic, C2/c, a 18·373(4), b 20·786(5), c 21·070(8) Å, β 108·18(3)°, Z = 4 f.u. The silver atom of the [Ag(AsPh3)4]+cation unusually lies on a crystallographic 2 (rather than a 3 ) axis of the incipiently23 (T) array, with Ag-As 2·649(2), 2·650(2) Å and As-Ag-As ranging from 108·22(4) to 111·41(6)°. The structure determination of a chloroform solvate of (2), denoted (2a), of low precision, is noted, together with the structure of an interesting artefact, isomorphous with the rhombohedral oxoanion array, modelled as [Ag(PPh3)4]2 (SiF6).py (7). Bands in the far-infrared spectra of [M(AsPh3)4] (ClO4) are assigned to v(MAs) vibrations at 119 (M = Cu) and 103 cm¯1 (M = Ag); this produces a more consistent picture of the variation in the wavenumbers of the v(ME) modes in [M(EPh3)4]+ compounds than was available previously.


2019 ◽  
Vol 4 (8) ◽  
pp. 2013-2020 ◽  
Author(s):  
Francesco Ambrosio ◽  
Daniele Meggiolaro ◽  
Edoardo Mosconi ◽  
Filippo De Angelis

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