Crystal structure refinement of Y2Cu2O5 from single crystal X-ray diffraction data

1989 ◽  
Vol 24 (3) ◽  
pp. 275-281 ◽  
Author(s):  
R. Famery ◽  
F. Queyroux
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Data ◽  
Structure Refinement ◽  
Crystal Structure Refinement ◽  
X Ray Diffraction ◽  
X Ray

scholarly journals Redetermination of Sr2PdO3 from single-crystal X-ray data

2019 ◽  
Vol 75 (1) ◽  
pp. 30-32
Author(s):  
Gohil S. Thakur ◽  
Hans Reuter ◽  
Claudia Felser ◽  
Martin Jansen
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Data ◽  
Structure Refinement ◽  
Structure Type ◽  
X Ray Diffraction ◽  
High Quality ◽  
X Ray ◽  
Cell Parameters ◽  
Anisotropic Displacement Parameters

The crystal structure redetermination of Sr2PdO3 (distrontium palladium trioxide) was carried out using high-quality single-crystal X-ray data. The Sr2PdO3 structure has been described previously in at least three reports [Wasel-Nielen & Hoppe (1970). Z. Anorg. Allg. Chem. 375, 209–213; Muller & Roy (1971). Adv. Chem. Ser. 98, 28–38; Nagata et al. (2002). J. Alloys Compd. 346, 50–56], all based on powder X-ray diffraction data. The current structure refinement of Sr2PdO3, as compared to previous powder data refinements, leads to more precise cell parameters and fractional coordinates, together with anisotropic displacement parameters for all sites. The compound is confirmed to have the orthorhombic Sr2CuO3 structure type (space group Immm) as reported previously. The structure consists of infinite chains of corner-sharing PdO4 plaquettes interspersed by SrII atoms. A brief comparison of Sr2PdO3 with the related K2NiF4 structure type is given.

scholarly journals Synthesis and Rietveld crystal structure refinement of mackinawite, tetragonal FeS

1995 ◽  
Vol 59 (397) ◽  
pp. 677-683 ◽  
Author(s):  
A. R. Lennie ◽  
S. A. T. Redfern ◽  
P. F. Schofield ◽  
D. J. Vaughan
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Structure Refinement ◽  
X Rays ◽  
Crystal Structure Refinement ◽  
Powder Diffraction Data ◽  
X Ray Diffraction ◽  
Data Set ◽  
X Ray ◽  
Cell Parameters

AbstractMackinawite, tetragonal FeS, has been synthesised by reacting iron with Na2S solutions. A Rietveld structure refinement of X-ray powder diffraction data, recorded using X-rays monochromated from synchrotron radiation with a wavelength of 0.6023 Å, has been performed. The structure has been refined in the tetragonal space group, P4/nmm, and has the following cell parameters: a = 3.6735(4), c = 5.0328(7) Å, V = 67.914(24) Å3. Our refinement shows that the FeS4 tetrahedron in mackinawite is almost perfectly regular, with a much smaller distortion than has been previously reported. An improved X-ray diffraction data set is provided.

Crystal Structure Refinement of M(NCNH)2 (M = Fe, Co) Based on Combined Neutron and X-ray Diffraction Data

2011 ◽  
Vol 637 (9) ◽  
pp. 1089-1091 ◽  
Author(s):  
Xiaojuan Tang ◽  
Andreas Houben ◽  
Xiaohui Liu ◽  
Ludwig Stork ◽  
Richard Dronskowski
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Structure Refinement ◽  
Crystal Structure Refinement ◽  
X Ray Diffraction ◽  
X Ray

Neutronen- und Röntgenbeugungsuntersuchungen an Pulvern und Einkristallen von Strukturverwandten des Berliner Blaus: CsMnIICrIII(CN)6 · D2O , NMe4MnII(Cr0,06,Mn0,94)III(CN)6 · 8 H2O , NMe4MnIICoIII(CN)6 · 8 H20 , Mn3II[MnIII(CN)6]2 · 15 H2O und Cd3[FeIII(CN)6]2 · 15 H2O / Neutron and X-Ray Diffraction Studies on Powders and Single Crystals of Compounds Structurally Related to Prussian Blue: CsMnIICrIII(CN)6 · D2O, NMe4MnII(Cr0,06Mn0,94)III(CN)6 · 8 H2O, NMe4MnIICoIII(CN)6 · 8 H2O, Mn3II[MnIII(CN)6]2 · 15 H2O and Cd3[FeIII(CN)6]2 · 15 H2O

1999 ◽  
Vol 54 (7) ◽  
pp. 870-876 ◽  
Author(s):  
Bernd Ziegler ◽  
Michael Witzel ◽  
Martin Schwarten ◽  
Dietrich Babel
Keyword(s):  
Crystal Structure ◽  
Ambient Temperature ◽  
Single Crystal ◽  
Single Crystals ◽  
Structure Refinement ◽  
Three Dimensional ◽  
Crystal Structure Refinement ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray

The results of a Rietveld refinement of CsMnCr(CN)6 · D2O neutron powder data (a = 1084.3(1) pm, F4̄3m, Z = 4) and of a neutron single crystal structure refinement of tetragonal NMe4MnII(Cr0,06Mn0,94)III(CN)6 · 8 H2O (a = 1065.8(21), c = 1064.6(26) pm, P4/n, Z = 2) at ambient temperature are reported. Single crystal X-ray analyses of the isostructural octahydrate NMe4MnCo(CN)6 · 8 H20 (a = 1062.1 (1), c = 1046.2( 1) pm) and of gel-grown crystals of cubic Mn3II[MnIII(CN)6]2 - 15 H2O (a = 1062.6(3) pm, Fm3̄m, Z = 4/3) and Cd3[Fe(CN)6]2 · 15 H2O (a = 1067.7(3) pm) were performed as well. The latter “Prussian Blues” are highly disordered and intermediate with respect to cyano-bridging between the above three-dimensional cesium and one-dimensional tetramethylammonium compounds.

scholarly journals Barium bis[tetrafluoridobromate(III)]

IUCrData ◽  
2021 ◽  
Vol 6 (7) ◽  
Author(s):  
Sergei I. Ivlev ◽  
Florian Kraus
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Diffraction Data ◽  
Structure Refinement ◽  
Structure Type ◽  
Crystal Structure Refinement ◽  
X Ray Diffraction ◽  
X Ray ◽  
Square Planar ◽  
Anisotropic Displacement Parameters

Single crystals of barium bis[tetrafluoridobromate(III)], Ba[BrF4]2, were obtained in the form of tiny blocks. Crystal-structure refinement of Ba[BrF4]2 from single-crystal X-ray diffraction data confirmed the previous model obtained on the basis of powder data [Ivlev et al. (2014). Eur. J. Inorg. Chem. pp. 6261–6267], but with all atoms refined with anisotropic displacement parameters. The crystal structure consists of two symmetry-independent barium cations that are each coordinated by twelve fluorine atoms, forming edge-sharing polyhedra, and an almost square-planar [BrF4]− anion. The compound crystallizes in the Ba[AuF4]2 structure type.

Single-crystal investigation of Ce5AgxGe4−x (x = 0.1−1.08) with Sm5Ge4 type

2020 ◽  
Vol 75 (8) ◽  
pp. 765-768
Author(s):  
Bohdana Belan ◽  
Dorota Kowalska ◽  
Mariya Dzevenko ◽  
Mykola Manyako ◽  
Roman Gladyshevskii
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Data ◽  
Binary Compound ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

AbstractThe crystal structure of the phase Ce5AgxGe4−x (x = 0.1−1.08) has been determined using single-crystal X-ray diffraction data for Ce5Ag0.1Ge3.9. This phase is isotypic with Sm5Ge4: space group Pnma (No. 62), Pearson code oP36, Z = 4, a = 7.9632(2), b = 15.2693(5), c = 8.0803(2) Å; R1 = 0.0261, wR2 = 0.0460, 1428 F2 values and 48 variables. The two crystallographic positions 8d and 4c show Ge/Ag mixing, leading to a slight increase in the lattice parameters as compared to those of the pure binary compound Ce5Ge4.

The crystal structure of gypsum-II determined by single-crystal synchrotron X-ray diffraction data

2010 ◽  
Vol 95 (4) ◽  
pp. 655-658 ◽  
Author(s):  
S. Nazzareni ◽  
P. Comodi ◽  
L. Bindi ◽  
L. Dubrovinsky
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
X Ray
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