scholarly journals Analysis of Stress-Strain Relationships and Line Broadening in Polycrystalline Materials Having Tetragonal Crystal System with [001] Fibre Texture by X-Ray Diffraction

2012 ◽  
Vol 61 (7) ◽  
pp. 627-633
Author(s):  
Ryouichi YOKOYAMA
Keyword(s):  
Polycrystalline Materials ◽  
Line Broadening ◽  
X Ray Diffraction ◽  
Stress Strain ◽  
X Ray ◽  
Crystal System ◽  
Fibre Texture ◽  
Tetragonal Crystal ◽  
Tetragonal Crystal System

scholarly journals A new ternary compound with the BGa8Ir4 structure type in the Al–Au–Ir system

2019 ◽  
Vol 75 (1) ◽  
pp. 49-52
Author(s):  
Joris Kadok ◽  
Marie-Cécile de Weerd ◽  
Pascal Boulet ◽  
Vincent Fournée ◽  
Julian Ledieu
Keyword(s):  
Crystal Structure ◽  
Ternary Phase ◽  
Structure Type ◽  
Gold Content ◽  
X Ray Diffraction ◽  
X Ray ◽  
Tetragonal Crystal ◽  
Pearson Symbol ◽  
Tetragonal Crystal System

Following the recent determination of the Al3AuIr structure, a new ternary phase has been identified in the Al–Au–Ir phase diagram. It has a chemical composition Al9(Au;Ir)4 with an apparently low gold content. Its crystal structure has been determined with single-crystal X-ray diffraction. The new compound crystallizes in the tetragonal crystal system and has been successfully solved in space group I41/acd (Pearson symbol tI104) with lattice parameters a = 8.6339 (2) and c = 21.8874 (7) Å. Atomic environments are described as well as similarities with the BGa8Ir4 compound.

Structural features of uranyl acrylate complexes with s-, p-, and d-monovalent metals

2019 ◽  
Vol 234 (4) ◽  
pp. 247-256 ◽  
Author(s):  
Olga A. Chekhomova ◽  
Vladislav V. Klepov ◽  
Denis V. Pushkin ◽  
Evgeny V. Alekseev ◽  
Anna V. Vologzhanina ◽  
...  
Keyword(s):  
Monovalent Cation ◽  
Structural Features ◽  
Monovalent Cations ◽  
X Ray Diffraction ◽  
X Ray ◽  
Space Groups ◽  
Tetragonal Crystal ◽  
Tetragonal Crystal System ◽  
Dirichlet Tessellation ◽  
Vinyl Group

Abstract A series of uranyl acrylate complexes with s-, p-, and d- monovalent cations (Li, Na, Tl, and Ag) was synthesized and characterized by single crystal X-ray diffraction and IR spectroscopy. We demonstrated that the nature of the monovalent cation strongly affects the composition and crystal structure of an uranyl acrylate. Li[UO2(acr)3]·H2O (1, acr=CH2CHCOO−) crystallizes in the tetragonal crystal system and is built of chains which are connected through hydrogen bonding. The presence of an acrylic acid dimer in the reaction results in the monoclinic compound Na3[UO2(acr)3][UO2(acr)2.5(CH2CHCOOCH2CH2COO)0.5]2·5H2O (2), in which the acrylic dimer shares a position with both the acrylate anion and a water molecule. Tl[UO2(acr)3] (3) exists as two polymorphs and crystallizes in either P1̅ (3a) or P213 (3b) space groups. The polymorphs differ in the dimensionality, 2D for 3a and 3D for 3b, and density. Ag2[UO2(NO3)2(acr)2]·2Hacr (4) is the first example of the Ag atom coordination to the acrylate anion through the vinyl group. In 4, the Ag–C bonds enhances the connectivity of the trinuclear [Ag2UO2(acr)2(Hacr)2(NO3)2] clusters into a layered coordination polymer. A detailed structural study of the obtained compounds was performed using Voronoi-Dirichlet tessellation.

Crystal Structure of Bis(triethylammonium)closo-decahydrodecaborate, [(C2H5)3NH]2[B10H10]

2000 ◽  
Vol 55 (6) ◽  
pp. 499-503 ◽  
Author(s):  
Kathrin Hofmann ◽  
Barbara Albert
Keyword(s):  
Crystal Structure ◽  
High Temperature ◽  
Powder Diffraction ◽  
High Temperature Phase ◽  
Temperature Phase ◽  
X Ray ◽  
Crystal System ◽  
System A ◽  
Tetragonal Crystal ◽  
Tetragonal Crystal System

The crystal structure of bis(triethylammonium)closo-decahydrodecaborate [bis(triethylammonium) decaboranate(10)], [(C2H5)3NH]2[B10H10], was determined and refined (space group Pmmn, no. 59, a = 989.7, b = 1333.7, c = 903.7 pm). The compound is a versatile starting material for many substances containing the [BioHio]2- entity and its derivatives. The closo-[B10H10]2- cluster is a bicapped square antiprism which is only slightly distorted. Its deviation from D4d symmetry is smaller than that of the B10 cages in every other compound containing this entity that have been structurally characterised. The presence of additional (N )H ---B3 interactions in form of multiple-centre bonds between the cations and the anions, which were postulated earlier and which should influence the cage symmetry, could not be confirmed. At 55 °C, the transition into a high temperature phase was investigated by X-ray powder diffraction. The high temperature phase crystallises in the tetragonal crystal system (a = 946.9, c = 1351.0 pm).

Synthesis and structural characterization of Ca12Ge17B8O58

2016 ◽  
Vol 71 (11) ◽  
pp. 1141-1146
Author(s):  
Sebastian Bräuchle ◽  
Klaus Wurst ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
High Temperature ◽  
Solid State ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Open Structure ◽  
X Ray ◽  
Tetragonal Crystal ◽  
Tetragonal Crystal System

AbstractCa12Ge17B8O58 was prepared by high-temperature solid state synthesis at 1100°C in a platinum crucible from calcium carbonate, boric acid, and germanium(IV) oxide. The compound crystallizes in the tetragonal crystal system in the space group P4̅ (No. 81) isotypically to Cd12Ge17B8O58. The structure was refined from single-crystal X-ray diffraction data: a = 15.053(8), c = 4.723(2) Å, V = 1070.2(2) Å3, R1 = 0.0151, and wR2 = 0.0339 for all data. The crystal structure of Ca12Ge17B8O58 consists of [Ge4O12]n chains composed of GeO4 tetrahedra and GeO6 octahedra. The chains are interconnected into a [Ge4O10.5]n network via corner sharing. By additional [Ge(B2O7)4]28– clusters, these units are connected to a three-dimensional [Ge17B8O58]24– framework. The open structure forms three types of tunnels with five-, six-, and seven-membered rings (MRs) along the c axis, where the Ca2+ are located.

Crystal data on some potassium lithium metal sulphides (KLiMS2, M being Zn, Mn or Fe)

1983 ◽  
Vol 16 (1) ◽  
pp. 141-142 ◽  
Author(s):  
D. M. Nicholas ◽  
M. S. Whaite ◽  
T. M. Ho
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Crystal Data ◽  
Powder Diffraction Data ◽  
Lithium Metal ◽  
Transition Elements ◽  
X Ray ◽  
Crystal System ◽  
Tetragonal Crystal ◽  
Tetragonal Crystal System

Compounds of the formula KLiMS2, where M is one of the divalent transition elements Zn, Mn or Fe, belong to the tetragonal crystal system. They are not, however, isomorphous. KLiZnS2: P, a = 6.600(5), c = 15.570(5) Å; KLiMnS2: P, a = 6.800(5), c = 11.055(5) Å; KLiFeS2: I, a = 3.840(5), c = 13.270(5) Å. X-ray powder diffraction data for all three compounds are given. The JCPDS Diffraction File Nos. for these compounds are: KLiZnS2 33-1494; KLiMnS2 33-1493; KLiFeS2 33-1492.

Analytical formulation of the variance method of line-broadening analysis for Voigtian X-ray diffraction peaks

2006 ◽  
Vol 39 (4) ◽  
pp. 598-600 ◽  
Author(s):  
Florentino Sánchez-Bajo ◽  
Angel L. Ortiz ◽  
Francisco L. Cumbrera
Keyword(s):  
Square Lattice ◽  
Polycrystalline Materials ◽  
Alternative Formulation ◽  
Line Profiles ◽  
Line Broadening ◽  
X Ray Diffraction ◽  
X Ray ◽  
Variance Method ◽  
Instrumental Line ◽  
Diffraction Peaks

An alternative formulation of the variance method for the line-broadening analysis of polycrystalline materials is presented. It maintains the theoretical basis of the earlier formulations of the variance method, but differs in the manner of calculating the variance coefficients of the line profiles. In the proposed formulation, these are evaluated analytically in terms of the shape parameters of Voigt functions fitted to the X-ray diffraction data. Explicit expressions are thus derived for calculating the (surface-weighted) crystal sizes and (root-mean-square) lattice microstrains from the integral breadths of the Gauss and Lorentz components of the Voigt functions that model the experimental and instrumental line profiles.

Re-evaluation of formulae for X-ray stress analysis in polycrystalline specimens with fibre texture

2009 ◽  
Vol 42 (2) ◽  
pp. 185-191 ◽  
Author(s):  
Ryouichi Yokoyama ◽  
Jimpei Harada
Keyword(s):  
Stress Analysis ◽  
Physical Meaning ◽  
Point Group ◽  
X Ray Diffraction ◽  
Stress Strain ◽  
Present Treatment ◽  
X Ray ◽  
Fibre Texture ◽  
Stress Strain Relation ◽  
Good Agreement

The stress–strain relation presented by Tanaka, Akiniwa, Ito & Inoue [Jpn Soc. Mech. Eng. Int. J. Ser. A, (1999),42, 224–234] for X-ray stress analysis for polycrystalline specimens with fibre texture is re-examined. By introducing the symmetry of reciprocal lattices for constituent crystallites, the physical meaning of taking an average of the strains observed by X-ray diffraction and the validity of the approximation used are made clear. By applying the present treatment to a cubic specimen in the m{\overline 3}m point group,hklBragg reflections withh≠k≠lsplit into doublets owing to the existence of crystallites with two different orientations. The formulae derived for cubic polycrystalline specimens with 〈111〉 fibre texture in the biaxial state in the Reuss model are in good agreement with those given previously. This technique is applicable to polycrystalline specimens of any symmetry with fibre texture.

Temperature-induced structural phase transitions in RERhSn (RE = Y, Gd-Tm, Lu)

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Simon Engelbert ◽  
Rolf-Dieter Hoffmann ◽  
Jutta Kösters ◽  
Steffen Klenner ◽  
Rainer Pöttgen
Keyword(s):  
Rare Earth ◽  
Phase Transitions ◽  
Driving Force ◽  
Room Temperature ◽  
Structural Phase ◽  
Structural Phase Transitions ◽  
Line Broadening ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
X Ray

Abstract The structures of the equiatomic stannides RERhSn with the smaller rare earth elements Y, Gd-Tm and Lu were reinvestigated on the basis of temperature-dependent single crystal X-ray diffraction data. GdRhSn crystallizes with the aristotype ZrNiAl at 293 and 90 K. For RE = Y, Tb, Ho and Er the HP-CeRuSn type (approximant with space group R3m) is already formed at room temperature, while DyRhSn adopts the HP-CeRuSn type below 280 K. TmRhSn and LuRhSn show incommensurate modulated variants with superspace groups P31m(1/3; 1/3; γ) 000 (No. 157.1.23.1) (γ = 3/8 for TmRhSn and γ = 2/5 for LuRhSn). The driving force for superstructure formation (modulation) is a strengthening of Rh–Sn bonding. The modulation is expressed in a 119Sn Mössbauer spectrum of DyRhSn at 78 K through line broadening.

X-Ray Diffraction Study of Hep Metals. I. Line Broadening in Polycrystalline Cd Powder

1974 ◽  
Vol 29 (12) ◽  
pp. 1771-1777 ◽  
Author(s):  
N. C. Haider ◽  
S. H. Hunter
Keyword(s):  
Room Temperature ◽  
Small Deformation ◽  
Correction Factors ◽  
Line Broadening ◽  
X Ray Diffraction ◽  
Fault Probability ◽  
Large Particle Size ◽  
X Ray ◽  
Melting Temperatures ◽  
Diffraction Patterns

Powder Cd of 99.999% purity was prepared at room temperature (25 °C) and x-ray diffraction patterns were obtained using CuKaα radiation with Ni-filter. The line broadening was analyzed after incorporating the appropriate correction factors. At room temperature Cd was found to have large particle size (653 A), small root mean square strain (.001), small deformation fault probability a (.003). and negligible growth fault probability β(0). Compared to other hep metals which have been studied earlier and which have higher melting temperatures, metal Cd is much less affected by mechanical deformation at room temperature.

Investigation of Residual Strains of the Second Kind in Plastically Deformed Metallic Materials

1994 ◽  
Vol 376 ◽  
Author(s):  
M. Vrána ◽  
P. Klimanek ◽  
T. Kschidock ◽  
P. Lukáš ◽  
P. Mikula
Keyword(s):  
High Resolution ◽  
Neutron Diffraction ◽  
Stacking Faults ◽  
Metallic Materials ◽  
Line Broadening ◽  
X Ray Diffraction ◽  
X Ray ◽  
Neutron Diffractometer ◽  
Residual Strains ◽  
Good Agreement

ABSTRACTInvestigation of strongly distorted crystal structures caused by dislocations, stacking-faults etc. in both plastically deformed f.c.c. and b.c.c. metallic materials was performed by the analysis of the neutron diffraction line broadening. Measurements were realized by means of the high resolution triple-axis neutron diffractometer equipped by bent Si perfect crystals as monochromator and analyzer at the NPI Řež. The substructure parameters obtained in this manner are in good agreement with the results of X-ray diffraction analysis.

Sign in / Sign up

Export Citation Format

Share Document