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RESEARCH PAPER · Acta Crystallographica Section B Structural Science · 2006

Structure prediction of ordered and disordered multiple octahedral cation perovskites using SPuDS

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Structure prediction of ordered and disordered multiple octahedral cation perovskites using SPuDSOriginalStructural studies of Sr 2 GaSbO 6 , Sr 2 NiMoO 6 , and Sr 2 FeNbO 6 using pressure and temperature49Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction124Crystal structure and phase transitions of19Crystal structures and dielectric properties of ordered double perovskites containing Mg2+ and Ta5+78Structures and crystal chemistry of the double perovskites Ba2LnB′O6 (Ln=lanthanide B′=Nb5+ and Ta5+): Part I. Investigation of Ba2LnTaO6 using synchrotron X-ray and neutron powder diffraction56Syntheses and characterizations of complex perovskite oxynitrides LaMg1/3Ta2/3O2N, LaMg1/2Ta1/2O5/2N1/2, and BaSc0.05Ta0.95O2.1N0.979LaMO3 (M = Mg, Ti, Fe) perovskite type oxides: Preparation, characterization and catalytic properties in methane deep oxidation85Synthesis and Characterization of New AA′BWO6 Perovskites Exhibiting Simultaneous Ordering of A-Site and B-Site Cations129A(B′1/2B″1/2)O3 [A = A2+ OR A3+; B′ = B2+,B3+; B″ = B4+,B5+,B6+] COMPLEX PEROVSKITES1Structural complexity in AA′MM′O6 Perovskites. A Transmission Electron Microscopy Study3Crystal structure, Raman spectroscopy, far-infrared, and microwave dielectric properties of (1−x)La(MgSn)0.5O3–xNd(MgSn)0.5O3 system36Electronic, Magnetic, and Structural Properties of Sr 2 MnRuO 6 and LaSrMnRuO 6 Double Perovskites40Two Three‐Dimensional Metal‐Organic Frameworks Constructed from Alkaline Earth Metal Cations (Sr and Ba) and 5‐Nitroisophthalicacid – Synthesis, Charaterization, and Thermochemistry15Crystal structures and chemistry of double perovskites Ba2M(II)M′(VI)O6 (M=Ca, Sr, M′=Te, W, U)50Disorder‐induced symmetry lowering in Ba(Y1/2Nb1/2)O3 ceramics probed by Raman spectroscopy22Crystal growth and structural investigation of A2BReO6 (A=Sr, Ba; B=Li, Na)27Raman Scattering and Infrared Spectroscopy of Chemically Substituted Sr2LnTaO6(Ln = Lanthanides, Y, and In) Double Perovskites59La3+ doping of the Sr2CoWO6 double perovskite: A structural and magnetic study12Synthesis, phase transition and photoluminescence studies on Eu3+-substituted double perovskites—A novel orange-red phosphor for solid-state lighting125Transmission Electron Microscopy Studies of NaLaMgWO 6 : Spontaneous Formation of Compositionally Modulated Stripes55Tetranuclear and One‐dimensional Cobalt Complexes with 5‐tert‐Butyl Isophthalic Acid and Chelating Neutral Ligands13Magnetic and structural properties of NaLnMnWO6 and NaLnMgWO6 perovskites67New ferromagnetic La3Co2TaO9 double perovskite: Structural and magnetic properties4Magnetic structures of NaLMnWO6 perovskites (L=La,Nd,Tb)34Recent Developments in the Methods and Applications of the Bond Valence Model1238Vibrational spectroscopic study of Sr2ZnTeO6 double perovskites36Characterization of tetragonal SAT0.3: LA0.075: CAT0.625 perovskite crystal: spectroscopic and microscopic investigations1Cation ordering in perovskites778Crystal structure of A2InSbO6 (A=Ca, Sr, Ba) ordered double perovskites20High Temperature Flux Crystal Growth of Uranium-Containing Perovskites: Sr3UO6 and Ba2 MUO6 (M = Cu, Ni, Zn)22First principles study of electronic structure and optical properties of double perovskite Ba2(InM)O6 [, Ta]18Crystal Structure and Phase Transitions in Sr3WO639Ca2CoNbO6: A new monoclinically distorted double perovskite33Effect of doping and oxygen vacancies on the octahedral tilt transitions in the BaCeO3 perovskite23Influence of the B-site ordering on the magnetic properties of the new La3Co2MO9 double perovskites with M=Nb or Ta20High Pressure Synthesis and Preparation of Inorganic Materials64Spontaneous Superlattice Formation in the Doubly Ordered Perovskite KLaMnWO635Large ferroelectric polarization in the new double perovskite NaLaMnWO6 induced by non-polar instabilities0Syntheses, structures, and fluorescence of two cadmium compounds [Cd2(pqc)4(phen)2(H2O)2] · 2H2O and {[Cd(pqc)2(bpy)(H2O)2] · 2H2O} n6High pressure investigation on double perovskite Ba2MgWO632Structural and complex AC impedance spectroscopic studies of A2CoNbO6 (A = Sr, Ba) ordered double perovskites52New Layered Oxide-Fluoride Perovskites: KNaNbOF5 and KNaMO2F4 (M = Mo6+, W6+)43Structure-property relations in the distorted ordered double perovskite Sr 2 InReO 632Short-Range Layered A-Site Ordering in Double Perovskites NaLaBB′O6 (B = Mn, Fe; B′ = Nb, Ta)24Atomistic simulation study of atomic size effects on B1 (NaCl), B2 (CsCl), and B3 (zinc-blende) crystal stability of binary ionic compounds22A brief history of tilts39Electrical and structural characterization of (KxNa1−x)NbO3ceramics modified with Li and Ta40Octahedral tilting, monoclinic phase and the phase diagram of PZT37The Incommensurately Modulated Structures of the Perovskites NaCeMnWO6 and NaPrMnWO619Optical and structural characterization of SrZr0,1Ti0,9O33Synthesis, structure and magnetic properties of La3Co2SbO9: A double perovskite with competing antiferromagnetic and ferromagnetic interactions33Electrical properties and scaling behaviour of rare earth based Ho2CoZrO6 double perovskite ceramics13Transition-Metal Perovskites10Using Bond Valences to Model the Structures of Ternary and Quaternary Oxides16Growth, structure and dielectric characteristics of Ba[(Fe1/2Nb1/2)0.1Ti0.9]O3 thin films by pulsed laser deposition0Ferroelectricity in Pulsed Laser Deposited Ba(Fe1/2Nb1/2)O3Thin Films2Structural and magnetic investigation of Ca2MnReO6 doped with Ce9Collective vibrational modes, x-ray photoemission spectra, and dielectric susceptibility of Ba 2 Y M O 6 ( M=Nb ,Ta)6STRUCTURAL, MAGNETIC AND ELECTRONIC PROPERTIES OF THE Sr 2 CoNbO 6 COMPLEX PEROVSKITE10Independent Ordering of Two Interpenetrating Magnetic Sublattices in the Double Perovskite Sr 2 CoOsO 6108Order–Disorder Transition Involving the A-Site Cations in Ln3+Mn3V4O12 Perovskites19Investigation of the high-temperature redox chemistry of Sr 2 Fe 1.5 Mo 0.5 O 6−δ via in situ neutron diffraction27Vacancy-driven magnetism in nonmagnetic double perovskite Sr2AlNbO6: A first-principles study14Layered B-site cation ordering: A key factor in ferrimagnetism of Y2MnCrO617X-ray diffraction and Raman spectroscopy studies of temperature and composition induced phase transitions in Ba2−xSrxMgTeO6 (0⩽x⩽2)14First-principles study of vacancy-induced ferromagnetism in nonmagnetic double perovskite Sr2AlTaO615Probing the Links between Structure and Magnetism in Sr2–xCaxFeOsO6 Double Perovskites64B-Cation Order Control of Magnetism in the 1322 Perovskite CaCu 3 Fe 2 Nb 2 O 1241Phonon modes and central peaks in an A -site relaxor: A low-frequency Raman study of sodium bismuth titanate20Semiconducting ferroelectric perovskites with intermediate bands via B -site Bi5+ doping25Group-theoretical study of cationic ordering in perovskite structure13A2B′B″O6 perovskites: A review1336Raman studies of A 2 MWO 6 tungstate double perovskites111Electrical conductivity and dielectric relaxation in Pr2CoZrO6 double perovskite39Magnetic order and electronic structure of the 5d3 double perovskite Sr2ScOsO662Functional properties of Sm2NiMnO6 multiferroic ceramics prepared by spark plasma sintering51Effects of chemical pressure on the magnetic ground states of the osmate double perovskites SrCaCoOsO6 and Ca2CoOsO641Synthesis of LaYbO3 perovskite through modified Pechini method: Structural, electric and magnetic characterization5Microwave Fast Sintering of Double Perovskite Ceramic Materials9First principle study on electronic structure, structural phase stability, optical and vibrational properties of Ba2ScMO6 (M = Nb, Ta)19Structural and magnetic properties of Ca1.5La0.5FeMoO6 perovskite at high pressures1A series of novel double perovskite oxides NaMTi2O6 (M = Eu, Sm, and Gd): preparation, characterization and photocatalytic studies under visible and solarlight irradiation6The effect of chemical pressure on the structure and properties of A2CrOsO6 (A=Sr, Ca) ferrimagnetic double perovskite55Electronic, magnetic, and optical characteristics of half-semiconductor double perovskite oxide Sr2CrOsO6 governed by 3d ( t2g3 )–5d ( t2g3 ) antiferromagnetic coupling12First-principles investigations on electronic and thermodynamic properties of double perovskite Sr2XMoO6 (X=Ge and Si)18Design and Crystal Growth of Magnetic Double Perovskite Iridates: Ln2MIrO6 (Ln = La, Pr, Nd, Sm-Gd; M = Mg, Ni)62Structural and magnetic studies of La2BMnO6 (B Ni and Co) nanoparticles prepared by microwave sintering approach28Centrosymmetric tetragonal tellurium doped calcium copper titanate and its dielectric tunability5Structural and magnetic properties of double perovskite oxide Ba2CeSbO622Dielectric relaxation of PrFeO3 nanoparticles20Chemical Stability and Crystallographic Analysis of the the Sr2HoNbO6 Cubic Perovskite as Potential Substrate for YBa2Cu3O7-δ Superconducting Films6Composition driven structural transition in La2−Sr CuRuO6 (0 ≤ x ≤ 1) double perovskites5First-Principle Study on Compensated Half Metallic Double Perovskite Compound B a 2 P r V O 68A Unified View of the Substitution-Dependent Antiferrodistortive Phase Transition in SrTiO328Green synthesis and characterization of NaEuTi2O6 nanoparticles and its photocatalyst application70High Pressure Synthesis and Preparation of Inorganic Materials6Crystal structure and optical properties of B site-ordered ALaLiTeO 6 (A = Ba, Sr) ceramics58Nomenclature of the perovskite supergroup: A hierarchical system of classification based on crystal structure and composition173Design of new Mott multiferroics via complete charge transfer: promising candidates for bulk photovoltaics28Structure and Physical Properties of the LaBiFe2O6 Perovskite Produced by the Modified Pechini Method9Ordenamento e propriedades dielétricas em microondas dos sistemas (Ba1-xSrx)3CaNb2O9 e (Ba1-yLay)3Ca1+yNb2-yO90Pressure-dependent structural, elastic, electronic and vibrational studies of Ba2InMO6 (M = Ta, Nb) from first principles16Structural, magnetic and electrical properties of a new double-perovskite LaNaMnMoO 6 material57Solution-Processed Nb-Substituted BaBiO3 Double Perovskite Thin Films for Photoelectrochemical Water Reduction54Complementary evaluation of structure stability of perovskite oxides using bond-valence and density-functional-theory calculations58The Crystal Structure and Magnetic Behavior of Quinary Osmate and Ruthenate Double Perovskites LaABB′O6 (A = Ca, Sr; B = Co, Ni; B′ = Ru, Os)23Theory of order–disorder phase transitions of B-cations in AB′1/2 B′′1/2O3 perovskites30Electron−hole separation in ferroelectric oxides for efficient photovoltaic responses54Promising electronic structure of double perovskite Sr2TiMoO6: Spin-polarized DFT+U approach3Octahedral distortion-driven electrical and vibrational properties of A2ErTaO6 (A=Sr and Ca) double perovskite oxides3Negative and positive thermal expansion-like volume changes due to intermetallic charge transfer based on an ionic crystal model of transition-metal oxides11Oxide perovskites, double perovskites and derivatives for electrocatalysis, photocatalysis, and photovoltaics783Temperature-dependent structural and magnetic properties of R2MMnO6 double perovskites (R = Dy, Gd; M = Ni, Co)35Dynamic Ferrimagnetic Order in a Highly Distorted Double Perovskite Y2CoRuO628Structural, magnetic, dielectric and optical properties of the Eu2Bi2Fe4O12 bismuth-based low-temperature biferroic15Investigation on the electronic structure, optical, elastic, mechanical, thermodynamic and thermoelectric properties of wide band gap semiconductor double perovskite Ba 2 InTaO 6302Synthesis of SrCoO3 perovskite as W-based double perovskite and its structural properties6Learning-in-Templates Enables Accelerated Discovery and Synthesis of New Stable Double Perovskites37Effect of pressure on electronic, magnetic, thermodynamic, and thermoelectric properties of tantalum‐based double perovskites Ba 2 MTaO 6 (M = Mn, Cr)71Conventional synthesis and characterization of cubically ordered La2FeMnO6 double perovskite compound58Influence of Cation Order and Valence States on Magnetic Ordering in La2Ni1−xMn1+xO619KBaTeBiO6: A Lead-Free, Inorganic Double-Perovskite Semiconductor for Photovoltaic Applications64Correlative models for perovskites with rock salt B‐site ordering6A brief review on the effect of preparation conditions on magnetic properties of some A2MMnO6 (A = La, Eu and Y; M = Mg, Co, Ni) type perovskites25Comparison of the crystal chemistry of tellurium (VI), molybdenum (VI), and tungsten (VI) in double perovskite oxides and related materials22Expanding the Doubly Cation Ordered AA′BB′O6 Perovskite Family: Structural Complexity in NaLaInNbO6 and NaLaInTaO621Quantifying Jahn-Teller distortion at the nanoscale with picometer accuracy using position averaged convergent beam electron diffraction3Searching for stable perovskite solar cell materials using materials genome techniques and high-throughput calculations40Preparation and photoluminescence properties of a novel white-light-emitting Dy3+-doped Ba2ScMO6 (M = Nb, Ta) phosphors10Structural distortions in rare-earth transition-metal oxide perovskites under high pressure29Ruddlesden–Popper Perovskite Oxides for Photocatalysis-Based Water Splitting and Wastewater Treatment105Perspective on the pressure-driven evolution of the lattice and electronic structure in perovskite and double perovskite13Crystal and Electronic Structures of A 2 NaIO 6 Periodate Double Perovskites (A = Sr, Ca, Ba): Candidate Wasteforms for I-129 Immobilization30Aspectos estructurales y propiedades magnéticas de la Ferrobismutita de Disprosio Dy2Bi2Fe4O120Investigation into Cation-Ordered Magnetic Polar Double Perovskite Oxides45Dielectric Relaxation and Magnetic Structure of A-Site-Ordered Perovskite Oxide Semiconductor CaCu3Fe2Ta2O1222Relationship between A-site cation and magnetic structure in 3d−5d−4f double perovskite iridates Ln2NiIrO6 ( Ln=La , Pr, Nd)9Crystal structures of four inclusion compounds of 4,4’-dihydroxy diphenyl sulfide and tetraalkylammonium0Producción y propiedades físicas de nuevas perovskitas complejas del tipo RAMOX (R=La, Nd, Sm, Eu; A=Sr, Bi; M= Ti, Mn, Fe)1First-principles prediction of the ground-state crystal structure of double-perovskite halides Cs2AgCrX6 (X = Cl, Br, and I)210Density Functional Theory Study on the Thermo-elastic and Magneto-electronic Properties of Double Perovskite Oxides Sr2MNbO6 (M = V, Cr)4Large bandgap and optical response of $d^0$ double perovskite Ba$_2$ScTaO$_6$.0A novel double perovskite oxide Sm2CoFeO6 phosphor for orange LEDs: structural, magnetic and luminescence properties40Multiple low-energy excitons and optical response of d0 double perovskite Ba 2 ScTaO 611Prediction of Space Groups for Perovskite-Like ${\text{A}}_{{\text{2}}}^{{{\text{II}}}}$BIIIB'VO6 Compounds4Template-free hydrothermal synthesis of lithium iron tavorite with complex morphologies driven by phase transformation0Physical characteristics of X2NaMoBr6 (X= K, Rb): A DFT study85The Development of New Perovskite-Type Oxygen Transport Membranes Using Machine Learning10Violation of the rule of parsimony: Mixed local moment and itinerant Fe magnetism in Fe3GeN4Insights into Cation Ordering of Double Perovskite Oxides from Machine Learning and Causal Relations36

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  1. Structural studies of Sr 2 GaSbO 6 , Sr 2 NiMoO 6 , and Sr 2 FeNbO 6 using pressure and temperature

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  2. Sr2MgMoO6-δ: Structure, Phase Stability, and Cation Site Order Control of Reduction

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  4. Crystal structures and dielectric properties of ordered double perovskites containing Mg2+ and Ta5+

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  5. Structures and crystal chemistry of the double perovskites Ba2LnB′O6 (Ln=lanthanide B′=Nb5+ and Ta5+): Part I. Investigation of Ba2LnTaO6 using synchrotron X-ray and neutron powder diffraction

    Journal of Solid State Chemistry · 2007-08-29

    Paul J. Saines, Jarrah R. Spencer, Brendan J. Kennedy, Maxim Avdeev

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  6. Syntheses and characterizations of complex perovskite oxynitrides LaMg1/3Ta2/3O2N, LaMg1/2Ta1/2O5/2N1/2, and BaSc0.05Ta0.95O2.1N0.9

    Journal of Solid State Chemistry · 2007-09-15

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  7. LaMO3 (M = Mg, Ti, Fe) perovskite type oxides: Preparation, characterization and catalytic properties in methane deep oxidation

    Applied Catalysis B: Environmental · 2007-11-14

    Srdjan Petrović, A. Terlecki-Baričević, Ljiljana Karanović, P. Stefanov, Miodrag V. Zdujić, V. Dondur, Daniela G. Paneva, Ivan Mitov, Vesna M. Rakić

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  8. Synthesis and Characterization of New AA′BWO6 Perovskites Exhibiting Simultaneous Ordering of A-Site and B-Site Cations

    Chemistry of Materials · 2007-11-20

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  9. A(B′1/2B″1/2)O3 [A = A2+ OR A3+; B′ = B2+,B3+; B″ = B4+,B5+,B6+] COMPLEX PEROVSKITES

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  10. Structural complexity in AA′MM′O6 Perovskites. A Transmission Electron Microscopy Study

    MRS Proceedings · 2008-01-01

    Susana García‐Martín, Esteban Urones‐Garrote, Meghan C. Knapp, Graham King, Patrick M. Woodward

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  11. Crystal structure, Raman spectroscopy, far-infrared, and microwave dielectric properties of (1−x)La(MgSn)0.5O3–xNd(MgSn)0.5O3 system

    Journal of Applied Physics · 2008-04-15

    Gunda Santosh Babu, Venkatachalam Subramanian, V. R. K. Murthy, Roberto Luiz Moreira, R. P. S. M. Lobo

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  12. Electronic, Magnetic, and Structural Properties of Sr 2 MnRuO 6 and LaSrMnRuO 6 Double Perovskites

    Journal of the American Ceramic Society · 2008-05-01

    Patrick M. Woodward, Joshua E. Goldberger, Matthew W. Stoltzfus, Hank W. Eng, Rebecca A. Ricciardo, P. N. Santhosh, Pavel Karen, Arnie R. Moodenbaugh

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  13. Two Three‐Dimensional Metal‐Organic Frameworks Constructed from Alkaline Earth Metal Cations (Sr and Ba) and 5‐Nitroisophthalicacid – Synthesis, Charaterization, and Thermochemistry

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    Sanping Chen, Qi Shuai, Shengli Gao

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  14. Crystal structures and chemistry of double perovskites Ba2M(II)M′(VI)O6 (M=Ca, Sr, M′=Te, W, U)

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    W.T. Fu, Y. S. Au, Sebastiaan Akerboom, D.J.W. IJdo

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  15. Disorder‐induced symmetry lowering in Ba(Y1/2Nb1/2)O3 ceramics probed by Raman spectroscopy

    Journal of Raman Spectroscopy · 2008-06-23

    Anderson Dias, Rodrigo G. Sá, Roberto Luiz Moreira

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  16. Crystal growth and structural investigation of A2BReO6 (A=Sr, Ba; B=Li, Na)

    Journal of Solid State Chemistry · 2008-07-06

    Muktha Bharathy, Hans‐Conrad zur Loye

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  17. Raman Scattering and Infrared Spectroscopy of Chemically Substituted Sr2LnTaO6(Ln = Lanthanides, Y, and In) Double Perovskites

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  18. La3+ doping of the Sr2CoWO6 double perovskite: A structural and magnetic study

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  19. Synthesis, phase transition and photoluminescence studies on Eu3+-substituted double perovskites—A novel orange-red phosphor for solid-state lighting

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  20. Transmission Electron Microscopy Studies of NaLaMgWO 6 : Spontaneous Formation of Compositionally Modulated Stripes

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  21. Tetranuclear and One‐dimensional Cobalt Complexes with 5‐tert‐Butyl Isophthalic Acid and Chelating Neutral Ligands

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  22. Magnetic and structural properties of NaLnMnWO6 and NaLnMgWO6 perovskites

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  23. New ferromagnetic La3Co2TaO9 double perovskite: Structural and magnetic properties

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  24. Magnetic structures of NaLMnWO6 perovskites (L=La,Nd,Tb)

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  25. Recent Developments in the Methods and Applications of the Bond Valence Model

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  26. Vibrational spectroscopic study of Sr2ZnTeO6 double perovskites

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  27. Characterization of tetragonal SAT0.3: LA0.075: CAT0.625 perovskite crystal: spectroscopic and microscopic investigations

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  28. Cation ordering in perovskites

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  29. Crystal structure of A2InSbO6 (A=Ca, Sr, Ba) ordered double perovskites

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  30. High Temperature Flux Crystal Growth of Uranium-Containing Perovskites: Sr3UO6 and Ba2 MUO6 (M = Cu, Ni, Zn)

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  31. First principles study of electronic structure and optical properties of double perovskite Ba2(InM)O6 [, Ta]

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  32. Crystal Structure and Phase Transitions in Sr3WO6

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  33. Ca2CoNbO6: A new monoclinically distorted double perovskite

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  34. Effect of doping and oxygen vacancies on the octahedral tilt transitions in the BaCeO3 perovskite

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  35. Influence of the B-site ordering on the magnetic properties of the new La3Co2MO9 double perovskites with M=Nb or Ta

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  36. High Pressure Synthesis and Preparation of Inorganic Materials

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  37. Spontaneous Superlattice Formation in the Doubly Ordered Perovskite KLaMnWO6

    Chemistry of Materials · 2010-12-17

    Susana García‐Martín, Graham King, Esteban Urones‐Garrote, Gwilherm Nénert, Patrick M. Woodward

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  38. Large ferroelectric polarization in the new double perovskite NaLaMnWO6 induced by non-polar instabilities

    Physical Chemistry Chemical Physics · 2011-01-01

    Tetsuya Fukushima, Alessandro Stroppa, Silvia Picozzi, Juan Manuel Perez-Mato

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  39. Syntheses, structures, and fluorescence of two cadmium compounds [Cd2(pqc)4(phen)2(H2O)2] · 2H2O and {[Cd(pqc)2(bpy)(H2O)2] · 2H2O} n

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    Mei-Qin Zha, Xing Li, Bing Yue

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  40. High pressure investigation on double perovskite Ba2MgWO6

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    S. Meenakshi, V. Vijayakumar, Srungarpu Nagabhusan Achary, A. K. Tyagi

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  41. Structural and complex AC impedance spectroscopic studies of A2CoNbO6 (A = Sr, Ba) ordered double perovskites

    Solid State Sciences · 2011-02-20

    J. Bashir, Rubina Shaheen

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  42. New Layered Oxide-Fluoride Perovskites: KNaNbOF5 and KNaMO2F4 (M = Mo6+, W6+)

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    Rachelle Ann F. Pinlac, Charlotte L. Stern, Kenneth Reinhard Poeppelmeier

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  43. Structure-property relations in the distorted ordered double perovskite Sr 2 InReO 6

    Physical Review B · 2011-04-08

    Haitao Gao, Anna Llobet, Joachim Barth, Jürgen Winterlik, Claudia Felser, Martin Panthöfer, Wolfgang Tremel

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