Studies of the structure, thermal expansion and molecular vibrations of di- p -xylylene, C 16 H 16 , at 93 and 291 °K

1960 ◽  
Vol 255 (1280) ◽  
pp. 82-100 ◽  
Keyword(s):  
Thermal Expansion ◽  
Numerical Data ◽  
Experimental Accuracy ◽  
Ray Method ◽  
X Ray ◽  
Thermal Expansion Coefficients ◽  
Length Measurements ◽  
Benzene Rings ◽  
Expansion Coefficients ◽  
Anisotropy Of Thermal Expansion

Recent accurate determinations of crystal structures have given Debye factors which show major differences between values for different atoms and in different directions. From these it has proved possible to deduce numerical data not only for the six principal translation and libration amplitudes, the molecule being treated as a rigid body, but also for the major distorting vibrations of the molecule. Di- p -xylylene is taken as an example. A refinement, at room and low temperatures, of the structure originally given by Brown, shows that there is a concertina movement of the two benzene rings towards and away from each other, accompanied by a corresponding up-and-down movement of the methylene bridges; and also a twisting movement of each benzene ring about its normal, out of parallelism with its opposite number. All vibration amplitudes are reduced at low temperature, but the pattern of vibrations is unchanged. The anisotropy of thermal expansion coefficients, measured by the X-ray method, is explained qualitatively; and diffuse scattering patterns are given. There is a discussion of the experimental accuracy necessary for the method to be applied, and the effect on bond-length measurements is considered.

Thermal expansion coefficients and Gruneisen parameters of quartz at high temperature by X-ray method

1994 ◽  
Vol 9 (2) ◽  
pp. 148-150
Author(s):  
Nabil N. Rammo ◽  
Saad B. Farid
Keyword(s):  
Thermal Expansion ◽  
High Temperature ◽  
Ambient Temperature ◽  
Least Squares ◽  
Temperature Variation ◽  
Ray Method ◽  
X Ray ◽  
Least Squares Fitting ◽  
Thermal Expansion Coefficients ◽  
Expansion Coefficients

The temperature variation of the interplanar spacings (101), (112), and (211) of 325 mesh quartz was determined in the range 300–966 °K using X-ray powder diffractometry. The measured lattice parameters have been found to increase nonlinearly with temperature, and the dependence has been expressed by a polynomial of second degree from the least-squares fitting of the data, the results of which are presented herein. Values are given for the thermal expansion coefficients and Gruneisen parameter in the range 300 to 768 °K. In the range 768–966 °K, the expansion is zero. The derivatives dαa/dT, dαc/dT, and dαv/dT at ambient temperature are also given.

The crystal structure and thermal expansion of the CCl4 adduct of Dianin's compound

1990 ◽  
Vol 68 (8) ◽  
pp. 1352-1356 ◽  
Author(s):  
Walter Abriel ◽  
André Du Bois ◽  
Marek Zakrzewski ◽  
Mary Anne White
Keyword(s):  
Crystal Structure ◽  
Thermal Expansion ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Guest Molecules ◽  
X Ray ◽  
Thermal Expansion Coefficients ◽  
Expansion Coefficients ◽  
Dianin's Compound

The crystal structure of the title compound has been determined by single crystal X-ray diffraction data collected at 293 K, and refined to a final Rw of 0.057. The crystals are rhombohedral, space group [Formula: see text], with a = 27.134(8) Å, c = 10.933(2) Å, and Z = 18. The mole ratio of Dianin's compound (4-p-hydroxyphenyl-2,2,4-trimethylchroman) to CCl4 is 6:1. The guest molecules are disordered. X-ray powder diffraction was carried out in the temperature range from 10 to 300 K. From this, the thermal expansion coefficients for the a- and c-axes and the volume have been determined. Keywords: thermal expansion, crystal structure, clathrate.

Structure and Thermal Expansion Behavior of Dy2-xGdxMo4O15 Solid Solution

2008 ◽  
Vol 368-372 ◽  
pp. 1665-1667
Author(s):  
M.M. Wu ◽  
X.L. Xiao ◽  
Y.Z. Cheng ◽  
J. Peng ◽  
D.F. Chen ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Solid Solution ◽  
Thermal Expansion ◽  
Monoclinic Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Thermal Expansion Coefficients ◽  
Expansion Behavior ◽  
Expansion Coefficients ◽  
Cell Volumes

A new series of solid solutions Dy2-xGdxMo4O15 (x = 0.0-0.9) were prepared. These compounds all crystallize in monoclinic structure with space group P21/c. The lattice parameters a, b, c and unit cell volumes V increase almost linearly with increasing gadolinium content. The intrinsic thermal expansion coefficients of Dy2-xGdxMo4O15 (x = 0.0 and 0.25) were obtained in the temperature range of 25 to 500°C with high-temperature X-ray diffraction. The correlation between thermal expansion and crystal structure was discussed.

scholarly journals An examination of the thermal expansion of urea using high-resolution variable-temperature X-ray powder diffraction

2005 ◽  
Vol 38 (6) ◽  
pp. 1038-1039 ◽  
Author(s):  
Robert Hammond ◽  
Klimentina Pencheva ◽  
Kevin J. Roberts ◽  
Patricia Mougin ◽  
Derek Wilkinson
Keyword(s):  
Thermal Expansion ◽  
High Resolution ◽  
Variable Temperature ◽  
X Ray Diffraction ◽  
Polymorphic Transformations ◽  
X Ray ◽  
Thermal Expansion Coefficients ◽  
Cell Dimensions ◽  
Expansion Coefficients ◽  
Unit Cell Dimensions

Variable-temperature high-resolution capillary-mode powder X-ray diffraction is used to assess changes in unit-cell dimensions as a function of temperature over the range 188–328 K. No evidence was found for any polymorphic transformations over this temperature range and thermal expansion coefficients for urea were found to be αa= (5.27 ± 0.26) × 10−5 K−1and αc= (1.14 ± 0.057) × 10−5 K−1.

Crystal structure and thermal expansion of hexakis(phenylthio)benzene and its CBr4 clathrate

1995 ◽  
Vol 73 (4) ◽  
pp. 513-521 ◽  
Author(s):  
Darek Michalski ◽  
Mary Anne White ◽  
Pradip K. Bakshi ◽  
T. Stanley Cameron ◽  
Ian Swainson
Keyword(s):  
Crystal Structure ◽  
Thermal Expansion ◽  
Neutron Powder Diffraction ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Temperature Range ◽  
Thermal Expansion Coefficients ◽  
Expansion Coefficients

The crystal structures of hexakis(phenylthio)benzene (HPTB) and its CBr4 clathrate have been determined by single crystal X-ray diffraction data collected at T = 18 °C and refined to final Rw of 0.036 and 0.047, respectively. Pure HPTB is triclinic, space group [Formula: see text] (No. 2), with a = 9.589(2) Å, b = 10.256(1) Å, c = 10.645(2) Å, α = 68.42(1)°, β = 76.92(2)°, γ = 65.52(1)°, and Z = 1. The CBr4 clathrate of HPTB is rhombohedral, space group [Formula: see text] (No. 148), with a = 14.327(4) Å, b = 20.666(8) Å, and Z = 3. The host–guest mole ratio of HPTB–CBr4 is 1:2. Neutron powder diffraction was carried out on powders of both compounds in the temperature range 25 K < T < 295 K. Thermal expansion coefficients were determined for HPTB and HPTB–CBr4 over this temperature range. Keywords: thermal expansion, crystal structure, clathrate.

The thermal expansion of staurolite, Fe4Al18Si8O44(OH)4

1981 ◽  
Vol 44 (333) ◽  
pp. 69-72 ◽  
Author(s):  
K. Gibbons ◽  
M. J. Dempsey ◽  
C. M. B. Henderson
Keyword(s):  
Thermal Expansion ◽  
Computer Modelling ◽  
Complex Structures ◽  
X Ray Diffraction ◽  
Ray Method ◽  
X Ray ◽  
Temperature Ranges ◽  
Expansion Coefficients ◽  
Expansion Behaviour ◽  
Good Agreement

AbstractThe thermal expansion of iron end-member staurolite has been studied by high-temperature powder X-ray diffraction methods and by modelling with the Distance Least Squares (DLS) computer program. The X-ray approach was complicated by dehydroxylation of the staurolite. Mean linear expansion coefficients for the a, b, and c cell edges of dehydroxylated staurolite determined by the X-ray method are (× 10−6 °C−1); 20–500 °C, 8.93, 8.23, and 7.95, respectively, and 20–800 °C, 7.85, 9.43, and 9.13, respectively. Expansion coefficients of a, b, and c calculated for hydroxylated staurolite using the DLS program over the same temperature ranges are (7.86, 7.18, and 7.55 × 10−6 °C−1) and (7.87, 7.17, and 7.57 × 10−6 °C−1). The good agreement between the results from the two methods supports the use of computer modelling in estimating the thermal expansion behaviour of complex structures. The latter approach could be preferable for studying hydrated minerals.

Behaviors of the Zr–1.0Sn–0.39Nb–0.31Fe–0.05Cr Alloy at High Temperature

2011 ◽  
Vol 399-401 ◽  
pp. 80-84
Author(s):  
Yi Yuan Tang ◽  
Jie Li Meng ◽  
Kai Lian Huang ◽  
Jian Lie Liang
Keyword(s):  
Thermal Expansion ◽  
Phase Transformation ◽  
High Temperature ◽  
Oxide Film ◽  
Room Temperature ◽  
X Ray Diffraction ◽  
X Ray ◽  
Thin Oxide Film ◽  
Thermal Expansion Coefficients ◽  
Expansion Coefficients

Phase transformation of the Zr-1.0Sn-0.39Nb-0.31Fe-0.05Cr alloy was investigated by high temperature X-ray diffraction (XRD). The XRD results revealed that the alloy contained two precipitates at room temperature, namely β-Nb and hexagonal Zr(Nb,Fe,Cr,)2. β-Nb was suggested to dissolve into the α-Zr matrix at the 580oC. Thin oxide film formed at the alloy’s surface was identified as mixture of the monoclinic Zr0.93O2and tetragonal ZrO2, when the temperature reached to 750oC and 850 oC. The thermal expansion coefficients of αZr in this alloy was of αa = 8.39×10-6/°C, αc = 2.48×10-6/°C.

A time-resolved x-ray diffraction study of Ti5Si3 product formation during combustion synthesis

1997 ◽  
Vol 12 (12) ◽  
pp. 3230-3240 ◽  
Author(s):  
C. R. Kachelmyer ◽  
I. O. Khomenko ◽  
A. S. Rogachev ◽  
A. Varma
Keyword(s):  
Thermal Expansion ◽  
High Temperature ◽  
Product Formation ◽  
X Ray Diffraction ◽  
Temperature Synthesis ◽  
Time Resolved ◽  
X Ray ◽  
Thermal Expansion Coefficients ◽  
High Temperature Synthesis ◽  
Expansion Coefficients

Time-resolved x-ray diffraction (TRXRD) was performed during Ti5Si3 synthesis by the self-propagating high-temperature synthesis mode for different Ti size fractions. It was determined that the time for product formation (ca. 15 s) was independent of Ti particle size. However, the formation of Ti5Si4 phase occurred when relatively large titanium particles were used. A simultaneous measurement of the temperature and TRXRD allowed us to attribute the shifting of XRD peaks at high temperature to thermal expansion of the Ti5Si3 product. The thermal expansion coefficients differ for different crystal planes, and their numerical values compare well with those reported previously in the literature.

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