The structure of chloromethyl thiocyanate, CH2ClSCN, in gas and crystalline phases

2015 ◽  
Vol 17 (24) ◽  
pp. 15805-15812 ◽  
Author(s):  
Y. Berrueta Martínez ◽  
L. S. Rodríguez Pirani ◽  
M. F. Erben ◽  
C. G. Reuter ◽  
Y. V. Vishnevskiy ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Low Temperature ◽  
Single Crystal ◽  
Gas Phase ◽  
Solid Phase ◽  
Gas Electron Diffraction ◽  
X Ray Diffraction ◽  
X Ray ◽  
Conformational Properties

The structural and conformational properties of chloromethyl thiocyanate, CH2ClSCN, were studied in the solid phase and in the gas phase usingin situlow-temperature single-crystal X-ray diffraction experiments (XRD) and gas electron diffraction (GED), respectively.

The low-temperature behaviour of cancrinite:an in situ single-crystal X-ray diffraction study

2012 ◽  
Vol 76 (4) ◽  
pp. 933-948 ◽  
Author(s):  
G. Diego Gatta ◽  
P. Lotti ◽  
V. Kahlenberg ◽  
U. Haefeker
Keyword(s):  
Low Temperature ◽  
Single Crystal ◽  
Structure Refinement ◽  
Ambient Conditions ◽  
X Ray Diffraction ◽  
Structural Behaviour ◽  
X Ray ◽  
Positional Disorder ◽  
Deformation Processes

AbstractThe low-temperature structural behaviour of natural cancrinite with a formula Na6.59Ca0.93[Si6.12Al5.88O24](CO3)1.04F0.41·2H2O has been investigated by means of in situ single-crystal X-ray diffraction and Raman spectroscopy. High quality structure refinements were obtained at 293, 250, 220, 180, 140, 100 and at 293 K again (at the end of the low-T experiments). The variation in the unit-cell volume as a function of temperature (T) exhibits a continuous trend, without any evident thermoelastic anomaly. The thermal expansion coefficient αV = (1/V)∂V/∂T is 3.8(7) × 10–5 K–1 (between 100 and 293 K). The structure refinement based on intensity data collected at ambient conditions after the low-T experiment confirmed that the low-T induced deformation processes are completely reversible. The extraframework population does not show significant variations down to 100 K. The strong positional disorder of the carbonate groups along the c axis persists within the T range investigated. The structural behaviour of cancrinite at low-T is mainly governed by the continuous framework rearrangement through the ditrigonalization of the six-membered rings which lie in a plane perpendicular to [0001], the contraction of the four-membered ring joint units, the decrease of the ring corrugation in the (0001) plane, and the flattening of the cancrinite cages. A list of the principal Raman active modes in ambient conditions is provided and discussed.

Low-temperature and high-pressure polymorphs of isopropyl alcohol

CrystEngComm ◽  
2014 ◽  
Vol 16 (32) ◽  
pp. 7397-7400 ◽  
Author(s):  
Joe Ridout ◽  
Michael R. Probert
Keyword(s):  
High Pressure ◽  
Low Temperature ◽  
Single Crystal ◽  
Isopropyl Alcohol ◽  
The Other ◽  
X Ray Diffraction ◽  
X Ray

Single-crystal X-ray diffraction has been used to elucidate the structure of two polymorphs of isopropyl alcohol, one grown through in situ cryo-crystallisation, the other through high-pressure crystallisation.

scholarly journals Low-Temperature Crystal Chemistry of Hingganite-(Y), from the Wanni Glacier, Switzerland

Minerals ◽  
2020 ◽  
Vol 10 (4) ◽  
pp. 322 ◽  
Author(s):  
Liudmila Gorelova ◽  
Oleg Vereshchagin ◽  
Stéphane Cuchet ◽  
Vladimir Shilovskikh ◽  
Dmitrii Pankin
Keyword(s):  
Thermal Expansion ◽  
Low Temperature ◽  
Single Crystal ◽  
Layer Plane ◽  
X Ray Diffraction ◽  
Wavelength Dispersive Spectroscopy ◽  
X Ray ◽  
Thermal Expansion Anisotropy ◽  
High Thermal Expansion

Hingganite from the Wanni glacier (Switzerland) was studied by means of energy dispersive and wavelength-dispersive spectroscopy, Raman spectroscopy, and low-temperature single-crystal X-ray diffraction. According to its chemical composition, the investigated mineral should be considered as hingganite-(Y). It showed a relatively high content of Gd, Dy, and Er and had limited content of lighter rare-earth element (REE), which is typical for Alpine gadolinite group minerals. The most intense Raman bands were 116, 186, 268, 328, 423, 541, 584, 725, 923, 983, 3383, and 3541 cm−1. Based on data of low-temperature [(−173)–(+7) °C] in situ single-crystal X-ray diffraction, it was shown that the hingganite-(Y) crystal structure was stable in the studied temperature range and no phase transitions occurred. Hingganite-(Y) demonstrated low volumetric thermal expansion (αV = 9(2) × 10−6 °C−1) and had a high thermal expansion anisotropy up to compression along one of the directions in the layer plane. Such behavior is caused by the shear deformations of its monoclinic unit cell.

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