scholarly journals CRISTAL-ITE: a single-crystal X-ray diffractometer scale model for scientific dissemination

2022 ◽  
Vol 55 (1) ◽  
Author(s):  
Michel Giorgi ◽  
Yves Berchadsky
Keyword(s):  
Single Crystal ◽  
Science And Technology ◽  
Scale Model ◽  
Educational Institutions ◽  
Close Collaboration ◽  
Laboratory Equipment ◽  
Technical Aspects ◽  
X Ray ◽  
The Subject ◽  
Design And Manufacture

This article presents the design and manufacture of an automated scale model of a four-circle single-crystal X-ray diffractometer that can be used for scientific dissemination. The purpose of this device is to reach out to the wider public and students to introduce them in an entertaining way to one of the laboratory apparatuses to which they do not usually have access, to talk to them about crystallography in the broadest sense, to develop concepts in various fields of science and technology, and to initiate interest and discussions. The main technical aspects of the project are described, with the expectation that such an approach could be useful to anyone involved in scientific dissemination and could be developed for other laboratory equipment and other disciplines. This kind of device can also be the subject of scientific and technological projects in close collaboration with educational institutions.

Comparative Structural Studies on Three-Coordinate Copper(I) Halide Complexes With Tertiary Phosphines. Crystal Structures of [(PPh2Mes)CuX]2 and [(PPhMes2)CuX]2 (Mes = Mesityl X = Cl, Br, I)

1992 ◽  
Vol 45 (7) ◽  
pp. 1155 ◽  
Author(s):  
GA Bowmaker ◽  
D Camp ◽  
RD Hart ◽  
PC Healy ◽  
BW Skelton ◽  
...  
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Copper Atom ◽  
Structural Studies ◽  
Coordination Environment ◽  
X Ray ◽  
Tertiary Phosphines ◽  
Structure Determinations ◽  
Halide Complexes ◽  
The Subject

The 1 : 1 complexes of the substituted triphenylphosphine ligands mesityldiphenylphosphine and dimesitylphenylphosphine with copper(1) chloride, bromide and iodide have been the subject of single-crystal X-ray structure determinations at 295 K. All six complexes crystallize as air-stable dimeric molecules, [(PPh2Mes)CuX]2 and [ (PPhMes2)CUX]2 with each copper atom in a distorted trigonal PCuX2. coordination environment. Crystals of [(PPh2Mes)CuCl]2 (1) are monoclinic, P21/n, a 9.961(3), b 18.687(6), c 11.009(7) Ǻ, β 114.63(4)°; R was 0.049 for 2450 'observed' reflections. [(PPh2Mes)CuBrI2 (2) is monoclinic, P21/n, a 9.939(2), b 18.832(6), c 11.238(6) Ǻ, β 115.36(3)°; R was 0.046 for 1803 'observed' reflections. [(PPh2Mes)CuI]2.4/3 C6H6 (3) is rhornbohedral, R3, a 36.877(8), c 9.047(5) A; R was 0.039 for 2537 'observed' reflections. Crystals of [(PPhMes2)CuCl]2.2MeCN (4) are triclinic, Pi, a 15.783(7), b 9.570(4), c 8.914(4) Ǻ, α 72.43(3), β 76.37(3), γ 74.03(3)°; R was 0.045 for 3341 'observed' reflections. [(PPhMes2)CuBr]2.3C6H6 (5) is monoclinic, C2/c, a 9.694(6), b 30.15(2), c 20.66(2) Ǻ, β 98.00(7)°; R was 0.047 for 2117 'observed' reflections. [(PPhMes2)CuI]2.2MeCN (6) is orthorhombic, PP1nb, a 11.694(8), b 14.77(1), c 29.76(3) Ǻ; R was 0.049 for 3447 'observed' reflections. Cu-P bond lengths are: 2.196(2) A (1); 2.198(3) Ǻ (2); 2.222(5) and 2.226(5) Ǻ (3); 2.202(1) Ǻ (4); 2.197(3) A (5); 2.201(4) and 2.264(5) Ǻ (6). The geometries of the LCuX2 and CuX2Cu units are compared with data reported for other monomeric and dimeric compounds for both phosphorus- and nitrogen-based ligands L.

The Rare Earth(III) Nitrate Dimethyl Sulfoxide Adducts [( dmso )nLn(O2NO)3]

1996 ◽  
Vol 49 (9) ◽  
pp. 997 ◽  
Author(s):  
LI Semenova ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Rare Earth ◽  
Single Crystal ◽  
Dimethyl Sulfoxide ◽  
Metal Atom ◽  
Metal Ion ◽  
Room Temperature ◽  
X Ray ◽  
The Subject ◽  
Ion Radius ◽  
The Rare Earth

Adducts [( dmso )nLn(O2NO)3], obtained by the crystallizatior , of lanthanoid (III) nitrate ( Ln (NO3)3.-xH2O) with excess dimethyl sulfoxide (' dmso ') in methanol or ethanol, have been the subject of a series of room-temperature single-crystal X-ray studies, defining more clearly the manner in which stoichiometry and structure systematically vary with change in metal ion radius. All complexes studied are mononuclear, the metal ion being complexed by three bidentate nitrate ligands and a number of dmso ligands , four for La-Sm and three beyond. The array La- Sm is monoclinic C2/c, a ≈ 14.9, b ≈ 15.5, c ≈ 15.5 Ǻ, β ≈ 108.4°, Z = 4 f.u .; the metal atom is disposed on a crystallographic 2 axis, which also passes through one of the nitrate groups. The series Eu -Tm (inclusive also of Y) is monoclinic, P21/n, a ≈ 11.5, b ≈ 12.7, c ≈ 13.6 Ǻ, β ≈ 100°, Z = 4 f.u ., while Yb and Lu are also monoclinic, P21/c, a ≈ 10.0, b ≈ 12.6, c ≈ 16 Ǻ, β ≈ 100.6°, Z = 4 f.u.

Voyage Delay Decisions

1973 ◽  
Vol 26 (2) ◽  
pp. 230-234
Author(s):  
A. Wepster
Keyword(s):  
Science And Technology ◽  
Educational Institutions ◽  
Marine Science ◽  
Legal Obligations ◽  
The Subject ◽  
Science Departments

Reduce speed, stop engines, navigate with caution. There can be little doubt that there will be very few legal obligations that are so consistently ignored as Rule 16 of the Collision Regulations at Sea. Yet the circumstance to which Rule 16 applies, reduced visibility, is only one of the causes for reducing speed and the factors involved in the decision to accept delay may prove interesting and revealing. It is the purpose of this paper to stimulate further investigation into the subject, an investigation that will certainly require the cooperation of ship owners associations and master mariner organizations and which could well be carried out by the Marine Science Departments of such advanced educational institutions as for example University of Wales Institute of Science and Technology in Cardiff.

Synchrotron X-ray and ab initio studies of β-Si3N4

2004 ◽  
Vol 60 (4) ◽  
pp. 388-405 ◽  
Author(s):  
D. du Boulay ◽  
N. Ishizawa ◽  
T. Atake ◽  
V. Streltsov ◽  
K. Furuya ◽  
...  
Keyword(s):  
Silicon Nitride ◽  
Single Crystal ◽  
Ab Initio ◽  
Diffraction Data ◽  
Compelling Evidence ◽  
X Ray Diffraction ◽  
X Ray ◽  
The Subject ◽  
Low Symmetry

Almost absorption- and extinction-free single-crystal synchrotron X-ray diffraction data were measured at 150, 200 and 295 K for β-Si3N4, silicon nitride, at a wavelength of 0.7 Å. The true symmetry of this material has been the subject of minor controversy for several decades. No compelling evidence favouring the low-symmetry P63 model was identified in this study.

Carbon Solvates: Redox Properties and Single Crystal X-Ray Structure

1990 ◽  
Vol 206 ◽  
Author(s):  
S. M. Gorun ◽  
M. A. Greaney ◽  
D. M. Cox ◽  
R. Sherwood ◽  
C. Day ◽  
...  
Keyword(s):  
Single Crystal ◽  
Structural Characterization ◽  
Molecular Level ◽  
Research Effort ◽  
Chemical Properties ◽  
Redox Properties ◽  
X Ray ◽  
The Subject ◽  
Intense Research

Carbon aggregates of various nuclearities have been recently the subject of renewed interest [1]. Despite an intense research, effort no molecular level characterization of C60 and related molecules has been reported yet [1,2]. Moreover, the chemical properties of these materials is virtually unknown. In this paper we report briefly the preparation, electrochemical and structural characterization of crystalline C60/70 solvates [3].

Lewis-Base Adducts of Groups 11 Metal(I) Compounds. LXII. The Crystal Structures of the 1 : 1 Adducts of Copper(I) Chloride, Bromide and Thiocyanate With Quinoline

1991 ◽  
Vol 44 (8) ◽  
pp. 1049 ◽  
Author(s):  
PC Healy ◽  
BW Skelton ◽  
AF Waters ◽  
AH White
Keyword(s):  
Single Crystal ◽  
Crystal Structures ◽  
Lewis Base ◽  
X Ray ◽  
Structure Determinations ◽  
The Subject ◽  
The Common

Adducts (1 : 1) of copper(I) chloride, bromide and thiocyanate with quinoline have been synthesized and have been the subject of single-crystal X-ray structure determinations at 295 K. Crystals of the chloride are orthorhombic, P 212121, a 15.358(7), b 14.309(6), c 3.801(2)Ǻ, Z 4; R was 0.055 for 541 'observed' reflections. Crystals of the bromide are monoclinic, C2/c, a 19.417(5), b 14.048(4), c 15.753(6) Ǻ, β 125.31(2)°, Z 4 tetramers; R was 0.049 for 1138 'observed' reflections. Crystals of the thiocyanate are monoclinic, P 21/c, a 5.682(1), b 10.412(2), c 16.838(5)Ǻ, β 97.48(2)°, Z 4 f.u .; R was 0.045 for 914 'observed' reflections. The chloride takes the form of the common 'stair' polymer, unexpectedly, while the thiocyanate is an expanded version of the same. The bromide provides a second example of a novel tetrameric 'basket' structure exemplified previously by the iodide analogue.

Evidence of a centre of symmetry: redetermination of Ni2.60Te2 from single-crystal data

2007 ◽  
Vol 63 (11) ◽  
pp. i188-i188 ◽  
Author(s):  
L. D. Gulay ◽  
M. Daszkiewicz ◽  
A. Pietraszko
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Previous Investigation ◽  
Crystal Data ◽  
Interatomic Distances ◽  
Space Group ◽  
X Ray ◽  
The Subject ◽  
Atomic Coordinates

The crystal structure of the title compound, nickel telluride, with composition Ni2.60Te2, has been the subject of a previous investigation based on X-ray powder data, when a slightly different composition of Ni2.58Te2 was determined [Gulay & Olekseyuk (2004). J. Alloys Compd, 376, 131–138]. In contrast to the previous refinement in the space group Pmc21, the redetermination from single-crystal data reveals a centre of symmetry and the structure was refined in the space group Pnma with improved precision for the atomic coordinates and interatomic distances. The structure can be described as a c × a × (3a)1/2 distorted orthorhombic variant of the hexagonal Ni1.10Se0.16Te0.74 structure. All atoms are situated on mirror planes.

Synthesis and Crystal Structure of 'Thorium Hydroxy Picrate Hexadecahydrate' ('Basic Thorium Picrate')

1995 ◽  
Vol 48 (7) ◽  
pp. 1349 ◽  
Author(s):  
JM Harrowfield ◽  
BJ Peachey ◽  
BW Skelton ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Room Temperature ◽  
Picric Acid ◽  
Coordination Geometry ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
The Subject ◽  
Hydroxy Groups

The title compound, crystallized from the solution produced by dissolution of thorium carbonate in hot, aqueous picric acid ( Hpic , 2,4,6-trinitrophenol) as pale yellow needles, has been the subject of a room-temperature single-crystal X-ray study and found to be [( pic )(H2O)6Th(μ-OH)2Th(OH2)6( pic )]( pic )4.20H2O. The compound is triclinic, Pī , a 14.651(4), b 12.877(6), c 11.838(2) Ǻ, α 69.71(3), β 75.93(2), γ 80.10(3); Z = 1 ( dimeric ) f.u .; conventional R on |F| at convergence was 0.032 for 8281 'observed' (I > 3σ(I)) reflections. The thorium is nine-coordinate Th (O- pic )(μ-O)2(OH2)6, the dimer being centrosymmetric and the coordination geometry about thorium being approximately that of a singly capped square antiprism , the capping atom (over a square face) being the slightly more remote of the bridging hydroxy groups. Th -μ-OH are 2.366(3), 2.381(3), Th-OH2 2.479(5)-2.534(4) and Th-O( pic ) 2.366(3) Ǻ.

Electron Microscopy of Shock Loaded Polycrystalline Beryllium

1974 ◽  
Vol 32 ◽  
pp. 506-507 ◽  
Author(s):  
J. M. Galbraith ◽  
L. E. Murr ◽  
A. L. Stevens
Keyword(s):  
Electron Microscopy ◽  
Wave Propagation ◽  
Structural Change ◽  
Single Crystal ◽  
Diffraction Pattern ◽  
Shock Loading ◽  
Slip Systems ◽  
Compression Tests ◽  
X Ray Diffraction ◽  
X Ray

Uniaxial compression tests and hydrostatic tests at pressures up to 27 kbars have been performed to determine operating slip systems in single crystal and polycrystal1ine beryllium. A recent study has been made of wave propagation in single crystal beryllium by shock loading to selectively activate various slip systems, and this has been followed by a study of wave propagation and spallation in textured, polycrystal1ine beryllium. An alteration in the X-ray diffraction pattern has been noted after shock loading, but this alteration has not yet been correlated with any structural change occurring during shock loading of polycrystal1ine beryllium.This study is being conducted in an effort to characterize the effects of shock loading on textured, polycrystal1ine beryllium. Samples were fabricated from a billet of Kawecki-Berylco hot pressed HP-10 beryllium.

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