X-RAY DIFFRACTION STUDY OF THE MODULATED STRUCTURE IN SUPERCONDUCTING SINGLE-CRYSTAL Bi2Sr2CaCu2Oy

1988 ◽  
Vol 02 (08) ◽  
pp. 985-991 ◽  
Author(s):  
X. CHU ◽  
Z.H. MAI ◽  
Y.F. YAN ◽  
J.H. WANG ◽  
D.N. ZHENG ◽  
...  
Keyword(s):  
Experimental Data ◽  
Single Crystal ◽  
Diffraction Study ◽  
Basic Structure ◽  
X Ray Diffraction ◽  
Modulated Structure ◽  
Space Group ◽  
One Dimensional ◽  
X Ray ◽  
Average Structure

X-ray precession technique1 has been utilized to study the reciprocal space of the superconducting single crystal Bi 2 Sr 2 CaCu 2 O y. An average structure with space group of Pnnn and a real structure with the superspace group of [Formula: see text] or [Formula: see text] have been found for this one dimensional modulated incommensurate material. As well, a basic structure with the space group of Fmmm is derived from the experimental data.

Structure of KNbOB2O5 – a commensurately modulated structure

2005 ◽  
Vol 61 (4) ◽  
pp. 361-366 ◽  
Author(s):  
Siegbert Schmid ◽  
Trixie Wagner
Keyword(s):  
Single Crystal ◽  
Diffraction Data ◽  
Group Symmetry ◽  
X Ray Diffraction ◽  
Modulated Structure ◽  
Space Group ◽  
X Ray ◽  
Average Structure ◽  
Modulated Structures ◽  
First Time

Members of the AMOB2O5 (A = K, Rb, Cs, Tl; M = Nb, Ta) family of compounds can be described as modulated structures with a single superspace group and very similar modulation functions. Single-crystal X-ray diffraction data (Mo Kα radiation) are used to solve and refine the structure of KNbOB2O5 in these terms for the first time. The average structure is solved and refined in the space group Pmn21. Subsequently, the atomic modulation functions are determined using JANA2000 and superspace-group symmetry Pmn21(0,0.375,0)s. The commensurately modulated structure is finally refined as a superstructure in the space group Pbn21 using SHELXS97 converging to R 1 = 0.024.

Reactions of Transition-Metal Sigma-Acetylides. V. Synthesis and X-Ray Structure of Co2(µ-η2-PhC2Fe(Co)2(η-C5h5))(Co)6

1986 ◽  
Vol 39 (1) ◽  
pp. 159 ◽  
Author(s):  
MI Bruce ◽  
DN Duffy ◽  
MG Humphrey
Keyword(s):  
Molecular Structure ◽  
Transition Metal ◽  
Single Crystal ◽  
Diffraction Study ◽  
Title Complex ◽  
Monoclinic Space Group ◽  
Independent Data ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

The reaction between Co2(CO)8 and Fe(C2Ph)(CO)2(η-C5H5) gave the title complex in 44% yield. The molecular structure was determined from a single-crystal X-ray diffraction study, and consists of the transition metal acetylide acting as a conventional μ- alkyne ligand to a Co2(CO)6 unit. Crystals are monoclinic, space group P21/n, with a 11.610(8), b 14.657(4), c 12.526(6)Ǻ, β 90.30(5)°, and Z 4; 1683 independent data were refined to R 0.080, Rw 0.087.

High-pressure behavior of synthetic mordenite-Na: an in situ single-crystal synchrotron X-ray diffraction study

2015 ◽  
Vol 230 (4) ◽  
Author(s):  
Paolo Lotti ◽  
G. Diego Gatta ◽  
Marco Merlini ◽  
Hanns-Peter Liermann
Keyword(s):  
High Pressure ◽  
Single Crystal ◽  
Diffraction Study ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Pressure Behavior ◽  
Synthetic Mordenite

AbstractThe high-pressure behavior of a synthetic mordenite-Na (space group:

A Comparative X-Ray Diffraction Study of Aqueous MnSO4 and Crystals of MnSO4·5H2O

1982 ◽  
Vol 37 (6) ◽  
pp. 581-586 ◽  
Author(s):  
R. Caminiti ◽  
G. Marongiu ◽  
G. Paschina
Keyword(s):  
Crystal Structure ◽  
Experimental Data ◽  
Single Crystal ◽  
Diffraction Study ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
X Ray ◽  
X Ray Scattering ◽  
Good Agreement ◽  
Single Crystal Analysis

Abstract X-ray single crystal analysis of MnSO4·5H2O shows that the manganese atoms are octahedrally coordinated by oxygen atoms, four of which belong to water molecules and two to sulphate groups. A model derived from the crystal structure was fitted to the X-ray scattering intensities from aqueous MnSO4. Good agreement with experimental data is achieved using a model in which Mn(H2O)6-z(OSO3)z+2-2z interacts with about ten water molecules and each sulphate ion with about seven water molecules.

Determinations of crystallographic space group and atomic arrangements in oxide-ion-conducting Nd9.33(SiO4)6O2

2004 ◽  
Vol 219 (1) ◽  
Author(s):  
Hiroki Okudera ◽  
Akira Yoshiasa ◽  
Yuji Masubuchi ◽  
Mikio Higuchi ◽  
Shinichi Kikkawa
Keyword(s):  
Single Crystal ◽  
Diffraction Study ◽  
X Ray Diffraction ◽  
Ion Conductor ◽  
Space Group ◽  
X Ray ◽  
Oxide Ion Conductor ◽  
Ion Conducting ◽  
Oxide Ion

AbstractIn this paper we report single crystal X-ray diffraction study of an oxide-ion-conductor Nd

Confacial bioctahedral complexes of tungsten(IV) containing tungsten-to-tungsten bonds: X-ray crystal structures of di-μ-ethanethiolato-μ-sulfidobis[dichloro(dimethyl sulfide)-tungsten(IV) (W—W)] and tetraphenylphosphonium di-μ-ethane thiolato-μ-sulfido- bis[trichlorotungstate(IV) (W—W)]

1982 ◽  
Vol 60 (11) ◽  
pp. 1333-1338 ◽  
Author(s):  
P. Michael Boorman ◽  
Penelope W. Codding ◽  
K. Ann Kerr ◽  
Kelly J. Moynihan ◽  
Vikram D. Patel
Keyword(s):  
Single Crystal ◽  
Bond Length ◽  
Diffraction Study ◽  
Crystal Structures ◽  
Dimethyl Sulfide ◽  
Heavy Atom ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray

The complex (Me2S)Cl2W(μ-S)(μ-SEt)2WCl2(Me2S), 1, has been prepared by reaction of [WCl4(Me2S)2] with 1 mol-equiv. of SiMe3(SEt) in CH2Cl2 solution. A single-crystal X-ray diffraction study shows that the molecule has a confacial bioctahedral structure with a W—W bond length of 2.526(2) Å. The structure was solved by heavy atom methods and refined to R = 0.061 and Rw = 0.061 for 2715 reflections with I ≥ 3σ(1). Crystals of 1 are triclinic, space group [Formula: see text], with a = 9.661(1), b = 10.695(1), c = 13.253(4) Å, α = 61.84(2), β = 66.98(2), and γ = 66.44(1)°, Z = 2.Reaction of 1with 2 mol-equiv. of Ph4PCl in CH2Cl2 solution yields (Ph4P)2[Cl3W(μ-S)(μ-SEt)2WCl3], 2. Crystals of 2 are triclinic, space group [Formula: see text], with a = 10.153(1), b = 13.043(1), c = 21.876(3) Å, α = 95.16(1), β = 96.48(2), and γ = 108.90(1)°, Z = 2. The structure was refined to R = 0.041, Rw = 0.048 for 2384 reflections with I ≥ 3σ(1); 2 also has a confacial bioctahedral structure with a W—W bond length of 2.522(1) Å.

scholarly journals Linear One-Dimensional Coordination Polymers Constructed by Dirhodium Paddlewheel and Tetracyanido-Metallate Building Blocks

Crystals ◽  
2019 ◽  
Vol 9 (12) ◽  
pp. 614 ◽  
Author(s):  
David Prior ◽  
Miguel Cortijo ◽  
Rodrigo González-Prieto ◽  
Santiago Herrero ◽  
Reyes Jiménez-Aparicio ◽  
...  
Keyword(s):  
Single Crystal ◽  
Coordination Polymers ◽  
Chloroform Solution ◽  
Building Blocks ◽  
X Ray Diffraction ◽  
Dichloromethane Solution ◽  
Space Group ◽  
One Dimensional ◽  
X Ray ◽  
Group A

In this article, we describe the preparation of anionic heteronuclear one-dimensional coordination polymers made by dirhodium paddlewheels and tetracyanido-metallatate building blocks. A series of complexes of (PPh4)2n[{Rh2(µ-O2CCH3)4}{M(CN)4}]n (M = Ni (1), Pd (2), Pt (3)) formulae were obtained by reaction of [Rh2(μ-O2CCH3)4] with (PPh4)2[M(CN)4] in a 1:1 or 2:1 ratio. Crystals of 1−3 suitable for single crystal X-ray diffraction were grown by slow diffusion of a dichloromethane solution of the dirhodium complex into a chloroform solution of the corresponding tetracyanido–metallatate salt. Compounds 1 and 2 are isostructural and crystallize in the triclinic P-1 space group, while compound 3 crystallizes in the monoclinic P21/n space group. A detailed description of the structures is presented, including the analysis of the packing of anionic chains and PPh4+ cations.

Reactivity of electron-rich binuclear hydrides. Synthesis, structure, and reactions of [{(i-Pr)2PCH2CH2P(i-Pr)2}Rh]2(μ-H)(μ-OC6H5)

1986 ◽  
Vol 64 (1) ◽  
pp. 174-179 ◽  
Author(s):  
Michael D. Fryzuk ◽  
May-Ling Jang ◽  
Terry Jones ◽  
Frederick W. B. Einstein
Keyword(s):  
Single Crystal ◽  
Diffraction Study ◽  
Mononuclear Complex ◽  
Spectroscopic Techniques ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Fourier Methods ◽  
Space Group ◽  
X Ray ◽  
Hydrogen Bonded

The reaction of phenol with the binuclear rhodium hydride [{(i-Pr)2PCH2CH2P(i-Pr)2}Rh]2(μ-H)2 generates [{(i-Pr)2PCH2CH2P(i-Pr)2}Rh]2(μ-H)(μ-OC6H5), 2, which was characterized by both solution spectroscopic techniques and a single crystal X-ray diffraction study. The structure was solved using Patterson and Fourier methods and refined to R = 0.019 (Rw = 0.027) for 6062 reflections; crystals of the compound are triclinic, space group [Formula: see text], with a = 9.018(2), b = 12.988(2), c = 17.558(3) Å, α = 99.42(1), β = 92.62(2), γ = 91.85(2)°, and Z = 2. Further reaction with excess phenol leads to the mononuclear complex (η5-C6H5O)Rh{(i-Pr)2PCH2CH2P(i-Pr)2}•2C6H5OH, which contains two phenol units hydrogen bonded to the oxygen of the η5-cyclohexy]dienylone ligand. The presence of the bridging phenoxide ligand in 2 results in reduced reactivity as compared to the starting binuclear hydride dimer.

Enclathrating Benzene in a Neutral Dicopper(II) Coordination Framework

2003 ◽  
Vol 56 (7) ◽  
pp. 671 ◽  
Author(s):  
Hong-Bo Liu ◽  
Shu-Yan Yu ◽  
Hui Huang ◽  
Zhong-Xing Zhang
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Space Group ◽  
One Dimensional ◽  
X Ray ◽  
Aromatic Molecules ◽  
Coordination Framework

Two infinite complexes {[Cu2(O2CCH3)4](3-tpt)(CH3OH)2}∞ (1) and {[Cu2(O2CPh)4](3-tpt)(C6H6)1.5}∞ (2) were obtained by reactions of 2,4,6-tris(3′-pyridyl)-1,3,5-triazine (3-tpt) with Cu2(O2CCH3)4 and Cu2(O2CPh)4, respectively, which have been structurally established by single-crystal X-ray diffraction. Complex (1) consists of one-dimensional zig-zag chains in its solid state, which can encapsulate methanol molecules; complex (2) consists of one-dimensional helical chains in its solid state, providing large channels which can selectively enclathrate benzene molecules. (1) crystallizes in the monoclinic space group P21/c with a 8.2892(4), b 22.8479(8), c 16.9258(10) Å, β 99.1480(10)°, V 3164.8(3) Å3, and Z 4; (2) crystallizes in the triclinic space group P1 with a 10.7641(8), b 12.0908(8), c 18.9039(12) Å, α 82.514(3)°, β 85.268(2)°, γ 79.746(4)°, V 2395.9(3) Å3, and Z 2. The inclusion selectivity toward aromatic molecules was discussed.

Single-Crystal X-Ray Diffraction Study of Na[OCN] at 170 K and its Vibrational Spectra

2010 ◽  
Vol 65 (4) ◽  
pp. 528-532 ◽  
Author(s):  
Olaf Reckeweg ◽  
Armin Schulz ◽  
Brian Leonard ◽  
Francis J. DiSalvo
Keyword(s):  
Single Crystal ◽  
Diffraction Study ◽  
Single Crystals ◽  
Vibrational Spectra ◽  
Unit Cell ◽  
Fermi Resonance ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
Rhombohedral Symmetry

The unit cell of Na[OCN] has been determined on single crystals at 170 K to have rhombohedral symmetry with the lattice parameters a = 356.79(10) and c = 1512.3(5) pm (hexagonal setting). According to the only model for which a converging refinement could be achieved, Na[OCN] crystallizes isopointal to β -NaN3 in the space group R¯3m (no. 166, Z = 3) with a statistically disordered [OCN]− anion. The positional coordinates and displacement parameters could not be separated for the O and N end atoms of the triatomic anion. The vibrational spectra show the frequencies typical for an [OCN]− moiety with Fermi resonance between the 2δ and the νsym vibrations for which the undisturbed frequencies were calculated.

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