Structures of the ordered double perovskites Sr2YTaO6 and Sr2YNbO6

2005 ◽  
Vol 61 (3) ◽  
pp. 258-262 ◽  
Author(s):  
Christopher J. Howard ◽  
Paris W. Barnes ◽  
Brendan J. Kennedy ◽  
Patrick M. Woodward

The ordered perovskite Sr2YTaO6, distrontium yttrium tantalum hexaoxide, has been reported as showing an unusual triclinic structure, at odds with the results from a recent group-theoretical analysis. A new investigation establishes that Sr2YTaO6 and the isostructural Sr2YNbO6, distrontium yttrium niobium hexaoxide, in fact both adopt the commonly occurring monoclinic structure, with the space-group symmetry P21/n.

2002 ◽  
Vol 58 (6) ◽  
pp. 934-938 ◽  
Author(s):  
Harold T. Stokes ◽  
Erich H. Kisi ◽  
Dorian M. Hatch ◽  
Christopher J. Howard

Group-theoretical methods are used to analyze perovskite structures where both ferroelectric cation displacements and simple tilting of octahedral units are present. This results in a list of 40 different structures, each with a unique space-group symmetry. The list is compared with that of Aleksandrov & Bartolomé [Phase Transit. (2001), 74, 255–335] and a number of differences are found. The group–subgroup relationships between the structures are also determined, along with an indication of those phase transitions that must be first order by Landau theory.


2003 ◽  
Vol 59 (4) ◽  
pp. 463-471 ◽  
Author(s):  
Christopher J. Howard ◽  
Brendan J. Kennedy ◽  
Patrick M. Woodward

Group-theoretical methods are used to enumerate the structures of ordered double perovskites, A 2 BB′X 6, in which the ordering of cations B and B′ into alternate octahedra is considered in combination with the ubiquitous BX 6 (or B′X 6) octahedral tilting. The cation ordering on the B-cation site is described by the irreducible representation R_1^+ of the Pm \overline 3 m space group of the cubic aristotype, while the octahedral tilting is mediated by irreducible representations M_3^+ and R_4^+. There are 12 different structures identified, and the corresponding group–subgroup relationships are displayed. Known structures are briefly reviewed.


2008 ◽  
Vol 40 (2) ◽  
pp. 167-173 ◽  
Author(s):  
Dj. Jovanovic ◽  
R. Gajic ◽  
K. Hingerl

In this paper we present our investigation of 2D Archimedean lattice photonic crystals with p4g space group symmetry. The structures are made of GaAs both as air holes and dielectric rods in air. In order to analyze the photonic crystal optical properties we performed calculations of the band structures, equi-frequency contours and electromagnetic propagation through the basic structures and waveguides. In addition, we investigated negative refraction and left-handedness in the p4g photonic crystal.


2015 ◽  
Vol 16 (2) ◽  
pp. 257-260
Author(s):  
І.V. Semkiv ◽  
А.І. Kashuba ◽  
H.A. Ilchuk ◽  
M.V. Chekaylo

Symmetrical analysis of the phonon spectra of  lowtemperature b¢-phase of crystal Ag8SnSe6 carried out. At the room temperature argyrodite Ag8SnSe6 belong to orthorhombic system with space group symmetry Pmn21. Classification of the main phonon modes of crystal carried out. Clarified selection rules for Raman spectra and infrared spectra.


1998 ◽  
Vol 12 (22) ◽  
pp. 2279-2303 ◽  
Author(s):  
G. L. Song ◽  
L. A. Bursill

The structure of crystalline α-AlMnSi is examined by electron diffraction. Six distinct zone axes are examined, including both normal crystallographic and non-crystallographic zone axes, allowing the space group symmetry of α-AlMnSi to be studied. A method for indexing the non-crystallographic zone axis diffraction patterns, which involve reflections from several nearby crystallographic zone axes, is described and applied to electron diffraction patterns of the quasi-5-fold, 3-fold and 2-fold axes of the icosahedral building units of cubic α-AlMnSi. These are compared with electron diffraction patterns from the corresponding 5-fold, 3-fold and 2-fold axes of the quasicrystalline phase i-AlMnSi, from which we may make some conclusions concerning the occupancies of the icosahedral units in i-AlMnSi. Electron diffraction patterns characteristic of [Formula: see text] were obtained for thicker specimens. However, for thin specimens, as used for HRTEM imaging, the electron diffraction patterns were characteristic of [Formula: see text] space group symmetry. This unusual behaviour arises because the structural basis for the [Formula: see text] to [Formula: see text] phase transition is a weak effect, involving changes in occupancy of the icosahedral structural elements located at the corners (double-MacKay icosahedra) and body-centers (MacKay icosahedra) of the cubic unit cell. The effects of changing the occupancies of the outer shells of the MI and DMI structural units on the diffraction intensities of the weak reflections were examined. Thus, calculation of the dynamical diffraction amplitudes shows that in fact the weak reflections characteristic of [Formula: see text] only develop sufficient intensity if two conditions are satisfied: namely (1) the crystal thickness exceeds approx. 50 nm and (2) if a significant proportion of [Formula: see text] occupancies are included in the structural model. By fitting the observed thickness variation of the diffraction intensities we propose a new set of occupancies for α-AlMnSi, which is consistent with the electron, X-ray and neutron diffraction data.


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