scholarly journals Thermodynamics by synchrotron X-ray diffraction: phase relationships and crystal structure of l-tyrosine ethyl ester form III

CrystEngComm ◽  
2015 ◽  
Vol 17 (21) ◽  
pp. 3974-3984 ◽  
Author(s):  
Béatrice Nicolaï ◽  
Jean-Paul Itié ◽  
Maria Barrio ◽  
Josep-Lluìs Tamarit ◽  
Ivo B. Rietveld
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Ethyl Ester ◽  
Equilibrium Curve ◽  
X Ray Diffraction ◽  
Structure Transition ◽  
X Ray ◽  
Transition Enthalpy ◽  
Pressure Form ◽  
Phase Relationships

Structure, transition enthalpy and equilibrium curve were obtained by X-ray diffraction for the commercial form and a new crystalline high-pressure form.

scholarly journals High-pressure synthesis and crystal structure of the mixed-cation borate Ga4In4B15O33(OH)3

2019 ◽  
Vol 74 (4) ◽  
pp. 357-363
Author(s):  
Daniela Vitzthum ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
High Temperature ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Mixed Cation ◽  
High Pressure High Temperature ◽  
Pressure Synthesis

AbstractThe mixed cation triel borate Ga4In4B15O33(OH)3 was synthesized in a Walker-type multianvil apparatus at high-pressure/high-temperature conditions of 12.5 GPa and 1300°C. Although the product could not be reproduced in further experiments, its crystal structure could be reliably determined via single-crystal X-ray diffraction data. Ga4In4B15O33(OH)3 crystallizes in the tetragonal space group I41/a (origin choice 2) with the lattice parameters a = 11.382(2), c = 15.244(2) Å, and V = 1974.9(4) Å3. The structure of the quaternary triel borate consists of a complex network of BO4 tetrahedra, edge-sharing InO6 octahedra in dinuclear units, and very dense edge-sharing GaO6 octahedra in tetranuclear units.

PHASE TRANSITION IN LAYERED PEROVSKITE LIKE MANGANATE Ca3Mn2O7 UNDER HIGH PRESSURE

2001 ◽  
Vol 15 (18) ◽  
pp. 2491-2497 ◽  
Author(s):  
J. L. ZHU ◽  
L. C. CHEN ◽  
R. C. YU ◽  
F. Y. LI ◽  
J. LIU ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Diamond Anvil Cell ◽  
The Other ◽  
Layered Perovskite ◽  
X Ray Diffraction ◽  
Two Phase ◽  
X Ray ◽  
Diamond Anvil

In situ high pressure energy dispersive X-ray diffraction measurements on layered perovskite-like manganate Ca 3 Mn 2 O 7 under pressures up to 35 GPa have been performed by using diamond anvil cell with synchrotron radiation. The results show that the structure of layered perovskite-like manganate Ca 3 Mn 2 O 7 is unstable under pressure due to the easy compression of NaCl-type blocks. The structure of Ca 3 Mn 2 O 7 underwent two phase transitions under pressures in the range of 0~35 GPa. One was at about 1.3 GPa with the crystal structure changing from tetragonal to orthorhombic. The other was at about 9.5 GPa with the crystal structure changing from orthorhombic back to another tetragonal.

X-ray Diffraction to 302 Gigapascals: High-Pressure Crystal Structure of Cesium Iodide

Science ◽  
1989 ◽  
Vol 246 (4930) ◽  
pp. 649-651 ◽  
Author(s):  
H. K. MAO ◽  
R. J. HEMLEY ◽  
L. C. CHEN ◽  
J. F. SHU ◽  
L. W. FINGER ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Cesium Iodide ◽  
X Ray Diffraction ◽  
X Ray

scholarly journals Crystal Structures of Al2Cu Revisited: Understanding Existing Phases and Exploring Other Potential Phases

Metals ◽  
2019 ◽  
Vol 9 (10) ◽  
pp. 1037 ◽  
Author(s):  
Sai Wang ◽  
Changzeng Fan
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Single Crystal ◽  
First Principles ◽  
First Principles Calculations ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structural Relationships ◽  
Al2cu Phase ◽  
High Pressure Sintering

When processing single crystal X-ray diffraction datasets for twins of Al2Cu sample synthesized by the high-pressure sintering (HPS) method, we have clarified why the crystal structure of Al2Cu was incorrectly solved about a century ago. The structural relationships between all existing Al2Cu phases, including the Owen-, θ-, θ’-, and Ω-Al2Cu phases, were investigated and established based on a proposed pseudo Al2Cu phase. Two potential phases have been built up by adjusting the packing sequences of A/B layers of Al atoms that were inherent in all existing Al2Cu phases. The mechanical, thermal, and dynamical stability of two such novel phases and their electronic properties were investigated by first-principles calculations.

Crystal-to-Crystal Diastereoselective Transformation of 2,4,6-Triisopropyl-4'-(S)-phenylalaninocarbonylbenzophenone Methyl Ester

1998 ◽  
Vol 54 (6) ◽  
pp. 907-911 ◽  
Author(s):  
H. Hosomi ◽  
Y. Ito ◽  
S. Ohba
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Methyl Ester ◽  
Absolute Configuration ◽  
Crystal Structure Analysis ◽  
X Ray Diffraction ◽  
Pass Filter ◽  
X Ray ◽  
Ultra High Pressure ◽  
Phenylalanine Methyl Ester

Dissymmetry of the photoproduct was induced by using a chiral substituent, (S)-methylphenylalanine, in the title compound {N-4-(2,4,6-triisopropylbenzoyl)benzoyl]-(S)-phenylalanine methyl ester (I)}. On irradiation with light from a 250 W ultra-high-pressure Hg lamp for 7 h through a long-pass filter, the photoreaction in a crystal was 100% complete without the loss of crystallinity. The crystal structures (I), before, and (II) {N-[4-(7-hydroxy-3,5-diisopropyl-8,8-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)benzoyl]-(S)-phenylalanine methyl ester}, after photocyclization, have been determined by X-ray diffraction. For comparison, a crystal structure analysis has also been carried out for the photoproduct (III) of the 3′-COOMe derivative after recrystallization {methyl 3-(7-hydroxy-3,5-diisopropyl-8,8-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-yl)benzoate}. The dihedral angle between the central carbonyl plane and the triisopropylphenyl ring deviates from 90° by 10 (1)° in (I), which makes an imbalance in the intramolecular O(carbonyl)...H(methine) distances of the isopropyl groups at positions 2 and 6. The crystal structure of (II) indicates that the nearer methine H was predominantly abstracted by the carbonyl O atom in the reaction. The absolute configuration around the asymmetric C atom in the cyclobutenol ring of the product is S.

Synthesis and sintering of SiC under high pressure and high temperature

1999 ◽  
Vol 14 (3) ◽  
pp. 906-911 ◽  
Author(s):  
S. K. Bhaumik ◽  
C. Divakar ◽  
S. Usha Devi ◽  
A. K. Singh
Keyword(s):  
Crystal Structure ◽  
Particle Size ◽  
High Pressure ◽  
Silicon Powder ◽  
Synthesis Temperature ◽  
Molar Ratio ◽  
X Ray Diffraction ◽  
X Ray ◽  
Microscopic Studies ◽  
Simultaneous Synthesis

Starting from elemental powders, simultaneous synthesis and compaction of SiC were conducted at 3 GPa pressure and temperatures in the range 2100–2900 K. The sintered compacts were characterized by x-ray diffraction, microhardness measurements, and microscopic studies. The efficiency of formation of SiC was dependent on the particle size of the silicon powder, crystallinity of the reactant carbon, molar ratio of silicon and carbon, and synthesis temperature and time. Carbon in excess of the stoichiometric amount was required to obtain compacts free from residual silicon. The SiC samples, with a Si: C molar ratio 1: 1.05, prepared at 2100 K for 300 s had a density and hardness of 3.21 g/cm3 (98.8% of theoretical density) and 22 GPa, respectively. The crystal structure of the SiC depended on the synthesis temperature. Pure β–SiC in the temperature range 2100–2500 K, and a mixture of α– and β–SiC above 2500 K were obtained. The β–SiC was highly crystalline and nearly defect-free.

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