scholarly journals Solid-State Supramolecular Organization, Established Directly from Powder Diffraction Data, and Photoluminescence Efficiency of Rigid-Core Oligothiophene-S,S-dioxides

2003 ◽  
Vol 125 (40) ◽  
pp. 12277-12283 ◽  
Author(s):  
Emilio Tedesco ◽  
Fabio Della Sala ◽  
Laura Favaretto ◽  
Giovanna Barbarella ◽  
David Albesa-Jové ◽  
...  
Keyword(s):  
Solid State ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Supramolecular Organization ◽  
Powder Diffraction Data ◽  
Rigid Core ◽  
Photoluminescence Efficiency

scholarly journals Crystal structures of the triple perovskites Ba2K2Te2O9and Ba2KNaTe2O9, and redetermination of the double perovskite Ba2CaTeO6

2018 ◽  
Vol 74 (7) ◽  
pp. 1006-1009 ◽  
Author(s):  
Matthias Weil
Keyword(s):  
Solid State ◽  
Single Crystals ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Perovskite Structure ◽  
Double Perovskite ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
Group Type

Single crystals of Ba2K2Te2O9(dibarium dipotassium nonaoxidoditellurate), (I), Ba2KNaTe2O9(dibarium potassium sodium nonaoxidoditellurate), (II), and Ba2CaTeO6(dibarium calcium hexaoxidotellurate), (III), were obtained from KNO3/KI or KNO3/NaNO3flux syntheses in platinum crucibles for (I) and (II), or porcelain crucibles for (III). (I) and (II) are isotypic and are members of triple perovskites with general formulaA2[12co]A′[12co]B2[6o]B′[6o]O9. They crystallize in the 6H-BaTiO3structure family in space-group typeP63/mmc, with theA,A′,BandB′ sites being occupied by K, Ba, Te and a second Ba in (I), and in (II) by mixed-occupied (Ba/K), Ba, Te and Na sites, respectively. (III) adopts theA2[12co]B′[6o]B′′[6o]O6double perovskite structure in space-group typeFm-3m, with Ba, Ca and Te located on theA,B′ andB′′sites, respectively. The current refinement of (III) is based on single-crystal X-ray data. It confirms the previous refinement from X-ray powder diffraction data [Fuet al.(2008).J. Solid State Chem.181, 2523–2529], but with higher precision.

A monotitanate with a stuffed cristobalite structure type

1994 ◽  
Vol 9 (2) ◽  
pp. 146-147 ◽  
Author(s):  
C. Colbeau-Justin ◽  
A. Elfakir ◽  
M. Quarton
Keyword(s):  
Solid State ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Solid State Reaction ◽  
Structure Type ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Space Group ◽  
Cell Parameters

A new titanate K2ZnTiO4 has been synthesized by solid-state reaction. This compound is isostructural with K2ZnGeO4, space group Pca21, Z=8. Unit-cell parameters were determined: a=11.3352(6) Å, b=5.6352(5) Å, c=16.0125(13) Å, and V=1022.8(3) Å3. Powder diffraction data are reported.

Powder-diffraction data for several solid solutions with the compositions (CaxSr1−x)CuO2 and (CaxSr1−x)2CuO3

1995 ◽  
Vol 10 (4) ◽  
pp. 296-299 ◽  
Author(s):  
S. T. Misture ◽  
C. Park ◽  
R. L. Snyder ◽  
B. Jobst ◽  
B. Seebacher
Keyword(s):  
High Temperature ◽  
Solid State ◽  
Powder Diffraction ◽  
Solid Solutions ◽  
Diffraction Data ◽  
Solid State Reaction ◽  
High Temperature Superconductors ◽  
Powder Diffraction Data ◽  
X Ray ◽  
Diffraction Patterns

Several compositions of the solid solutions (CaxSr1−x)CuO2 and (CaxSr1−x)2CuO3, both of which are found as minor phases in the high-temperature superconductors, were prepared by solid-state reaction. X-ray powder-diffraction patterns for three compositions of (CaxSr1−x)CuO2 and two for (CaxSr1−x)2CuO3 are presented.

scholarly journals RbCa2Nb3O10from X-ray powder data

2009 ◽  
Vol 65 (6) ◽  
pp. i44-i44 ◽  
Author(s):  
Zhen-Hua Liang ◽  
Kai-Bin Tang ◽  
Qian-Wang Chen ◽  
Hua-Gui Zheng
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Solid State Reaction ◽  
Perovskite Structure ◽  
Three Dimensional ◽  
Rietveld Analysis ◽  
Powder Diffraction Data ◽  
X Ray

Rubidium dicalcium triniobate(V), RbCa2Nb3O10, has been synthesized by solid-state reaction and its crystal structure refined from X-ray powder diffraction data using Rietveld analysis. The compound is a three-layer perovskite Dion–Jacobson phase with the perovskite-like slabs derived by termination of the three-dimensional CaNbO3perovskite structure along theabplane. The rubidium ions (4/mmmsymmetry) are located in the interstitial space.

Face-sharing octahedra in Cs3Al2F9 and Cs2AlF5

2015 ◽  
Vol 30 (2) ◽  
pp. 130-138 ◽  
Author(s):  
A. Le Bail ◽  
L'. Smrčok
Keyword(s):  
Solid State ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Energy Minimization ◽  
Rare Occurrence ◽  
Powder Diffraction Data ◽  
Space Group ◽  
Data Space ◽  
The Face ◽  
Hexagonal Perovskites

The structure of Cs2AlF5 obtained by thermal dehydration of Cs2AlF5•H2O is determined ab initio from powder diffraction data, space group Pmn21, a = 6.36216 (17) Å, b = 12.7523 (4) Å, c = 11.4102 (3) Å, and Z = 6. Contrarily to most A2MF5 compounds presenting MF5cis or trans-chains of corner-sharing MF6 octahedra, Cs2AlF5 is characterized by the rare occurrence of the face-sharing anion Al2F93− combined with an isolated AlF63− octahedron, the sum leading to Al3F156−. The structure of Cs3Al2F9 [space group P63/mmc, a = 6.2535 (2) Å, c = 14.7193 (6) Å, Z = 2] is confirmed to be isostructural with Cs3Fe2F9, built up from the same M2F93− dimers (M = Fe, Al). Both crystal structures are optimized by energy minimization density funtional theory (DFT) in the solid state using a hybrid PBE0 functional, and their relations with the hexagonal perovskites and elpasolites are discussed.

Synthesis and crystal data for K3Nb3O6Si2O7

1994 ◽  
Vol 9 (2) ◽  
pp. 96-97 ◽  
Author(s):  
S. Launay ◽  
P. Mahé ◽  
M. Quarton
Keyword(s):  
Solid State ◽  
Single Crystals ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Solid State Reaction ◽  
Crystal Data ◽  
Powder Diffraction Data ◽  
Compound K ◽  
Unit Cell Parameters ◽  
Cell Parameters

The silicate compound, K3Nb3O6Si2O7, has been synthesized by solid-state reaction. Single crystals were obtained; they crystallized with the hexagonal space group P2c. Refined unit-cell parameters are: a = 9.0377(3), c=8.0465(7)Å, V=569.18(5)Å3, Z=2, Dm = 3.84(4), Dx=3.851. Powder diffraction data are reported.

Combined powder diffraction and solid-state DFT study of [Cu (2,6-dimethoxynicotinate)2(μ-ronicol)2]n complex

2008 ◽  
Vol 223 (8) ◽  
Author(s):  
Vladimir Jorik ◽  
Eva Scholtzová ◽  
Peter Segl'a
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Title Compound ◽  
Dft Study ◽  
Powder Diffraction Data

AbstractCrystal structure of the title compound was solved from the laboratory powder diffraction data in the

Crystal structure of new triple molybdate AgMg3Ga(MoO4)5 from Rietveld refinement

2017 ◽  
Vol 32 (4) ◽  
pp. 255-260
Author(s):  
Irina Yu. Kotova ◽  
Aleksandra A. Savina ◽  
Elena G. Khaikina
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Three Dimensional ◽  
Polycrystalline Sample ◽  
Powder Diffraction Data ◽  
Structural Refinement ◽  
X Ray ◽  
Triple Molybdate

A polycrystalline sample of a new triple molybdate AgMg3Ga(MoO4)5 was obtained by solid-state reaction techniques. Structural refinement based on X-ray powder diffraction data showed that the crystal structure is isotypic with NaMg3In(MoO4)5 (sp. gr. P$\bar 1$). In the structure pairs of edge-shared (Mg, Ga)O6,  octahedra are connected by common vertices to form a three-dimensional framework. Large framework cavities involve Ag+ cations. The title compound was found to melt at 1079 K.

New Crystal Data for Seven Molybdates MIIUMo4O16 (MII = Mg,Mn,Cd,Ca,Hg,Sr,Pb)

1988 ◽  
Vol 3 (2) ◽  
pp. 106-109 ◽  
Author(s):  
M.R. Lee ◽  
M. Quartern ◽  
S. Jaulmes
Keyword(s):  
Solid State ◽  
Single Crystals ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Solid State Reaction ◽  
Monoclinic Space Group ◽  
Crystal Data ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Cell Parameters

AbstractSeven isotopic molybdates MIIUMo4O16 have been synthesized by solid state reaction with MII = Mg, Mn, Cd, Ca, Hg, Sr, Pb. Single crystals of CaUMo4O16 were obtained. Previously reported as triclinic, this compound is monoclinic, space group P2/n. Unit-cell parameters for the seven compounds are:MgUMo4O16: a = 11.393(2), b = 6.505(1), c = 7.918(2) Å, β = 89.81(3)°, V = 586.8(5) Å3, Z = 2, Dx = 5.12 Mg m−3;MnUMo4O16: a = 11.413(2), b = 6.555(1), c = 8.023(1) Å, β = 89.86(2)°, V = 600.2(4)Å3, Z = 2, Dx = 5.18 Mg m−3;CdUMo4O16: a = 11.427(2), b = 6.607(1), c = 8.144(2) Å3, β = 90.40(2)°, V = 614.8(5)Å3, Z = 2, Dx = 5.37 Mg m−3;CaUMo4O16: a = 11.443(3), b = 6.653(2), c = 8.239(2)Å, β = 90.51(3)°, V = 627.2(6)Å3, Z = 2, Dm = 4.83(5), Dx = 4.88 Mg m−3;HgUMo4O16: a = 11.439(3), b = 6.643(1), c = 8.257(2)Å, β = 90.53(3)°, V = 627.4(6)Å3, Z = 2, Dx = 5.73 Mg m−3;SrUMo4O16: 11.465(3), b = 6.768(2), c = 8.492(2) Å, β = 90.86(3)°, V = 658.8(6)Å3, Z = 2, Dx = 4.88 Mg m−3;PbUMo4O16: a = 11.470(4), b = 6.813(2), c = 8.557(2)Å, β = 90.88(4)°, V = 668.7(8)Å3, Dx = 5.41 Mg m−3;Powder diffraction data for each phase are reported.

Sign in / Sign up

Export Citation Format

Share Document