Structure of solid chlorine at 1.45 GPa

2019 ◽  
Vol 234 (4) ◽  
pp. 277-280 ◽  
Author(s):  
Laura Henry ◽  
Volodymyr Svitlyk ◽  
Gaston Garbarino ◽  
David Sifre ◽  
Mohamed Mezouar
Keyword(s):  
High Pressure ◽  
Low Temperature ◽  
Single Crystal ◽  
Single Crystals ◽  
Room Temperature ◽  
Diamond Anvil Cell ◽  
Ambient Pressure ◽  
Orthorhombic Symmetry ◽  
Single Crystal Diffraction ◽  
Diamond Anvil

Abstract Single crystals of solid chlorine (Cl2) were synthesized at room temperature and high pressure (HP, P=1.45 GPa) in a diamond anvil cell (DAC). At these conditions Cl2 adapts the same structure as its corresponding low-temperature (LT) ambient pressure modification (T<172 K), as concluded from HP single crystal diffraction experiments. Namely, it crystallizes in an orthorhombic symmetry (Cmce spacegroup) with Cl2 molecules forming monolayers parallel to the bc plane and this structure is preserved up to at least 64 GPa. The pressure of 1.45 GPa is to be considered as a solidification point of liquid Cl2 at room temperature.

scholarly journals High Pressure Behavior of Mascagnite from Single Crystal Synchrotron X-ray Diffraction Data

Crystals ◽  
2021 ◽  
Vol 11 (8) ◽  
pp. 976
Author(s):  
Paola Comodi ◽  
Maximiliano Fastelli ◽  
Giacomo Criniti ◽  
Konstantin Glazyrin ◽  
Azzurra Zucchini
Keyword(s):  
High Pressure ◽  
Single Crystal ◽  
Room Temperature ◽  
Diamond Anvil Cell ◽  
Geometrical Parameters ◽  
X Ray Diffraction ◽  
Third Order ◽  
X Ray ◽  
Diamond Anvil ◽  
Murnaghan Equation

High-pressure synchrotron X-ray diffraction was carried out on a single crystal of mascagnite, compressed in a diamond anvil cell. The sample maintained its crystal structure up to ~18 GPa. The volume–pressure data were fitted by a third-order Birch–Murnaghan equation of state (BM3-EOS) yielding K0 = 20.4(7) GPa, K’0 = 6.1(2), and V0 = 499(1) Å3, as suggested by the F-f plot. The axial compressibilities, calculated with BM3-EOS, were K0a = 35(3), K’0a = 7.7(7), K0b = 10(3), K’0b = 7(1), K0c = 25(1), and K’0c = 4.3(2) The axial moduli measured using a BM2-EOS and fixing K’0 equal to 4, were K0a = 52(2), K0b = 20 (1), and K0c = 29.6(4) GPa, and the anisotropic ratio of K0a:K0b:K0c = 1:0.4:0.5. The evolution of crystal lattice and geometrical parameters indicated no phase transition until 17.6 GPa. Sulphate polyhedra were incompressible and the density increase of 30% compared to investigated pressure should be attributed to the reduction of weaker hydrogen bonds. In contrast, some of them, directed along [100], were very short at room temperature, below 2 Å, and showed a very low compressibility. This configuration explains the anisotropic compressional behavior and the lowest compressibility of the a axis.

scholarly journals Combined X-ray and neutron single-crystal diffraction in diamond anvil cells

2020 ◽  
Vol 53 (1) ◽  
pp. 9-14 ◽  
Author(s):  
Andrzej Grzechnik ◽  
Martin Meven ◽  
Carsten Paulmann ◽  
Karen Friese
Keyword(s):  
High Pressure ◽  
Data Processing ◽  
Single Crystal ◽  
Diamond Anvil Cell ◽  
Crystal Data ◽  
Structural Refinement ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
Diamond Anvil ◽  
First Time

It is shown that it is possible to perform combined X-ray and neutron single-crystal studies in the same diamond anvil cell (DAC). A modified Merrill–Bassett DAC equipped with an inflatable membrane filled with He gas has been developed. It can be used on laboratory X-ray and synchrotron diffractometers as well as on neutron instruments. The data processing procedures and a joint structural refinement of the high-pressure synchrotron and neutron single-crystal data are presented and discussed for the first time.

Momentum-resolved resonant inelastic X-ray scattering on a single crystal under high pressure

2013 ◽  
Vol 21 (1) ◽  
pp. 131-135 ◽  
Author(s):  
Masahiro Yoshida ◽  
Kenji Ishii ◽  
Ignace Jarrige ◽  
Tetsu Watanuki ◽  
Kazutaka Kudo ◽  
...  
Keyword(s):  
High Pressure ◽  
Single Crystal ◽  
Diamond Anvil Cell ◽  
Ambient Pressure ◽  
Electronic Excitations ◽  
X Ray ◽  
X Ray Scattering ◽  
Angle Condition ◽  
Diamond Anvil ◽  
Ray Scattering

A single-crystal momentum-resolved resonant inelastic X-ray scattering (RIXS) experiment under high pressure using an originally designed diamond anvil cell (DAC) is reported. The diamond-in/diamond-out geometry was adopted with both the incident and scattered beams passing through a 1 mm-thick diamond. This enabled us to cover wide momentum space keeping the scattering angle condition near 90°. Elastic and inelastic scattering from the diamond was drastically reduced using a pinhole placed after the DAC. Measurement of the momentum-resolved RIXS spectra of Sr2.5Ca11.5Cu24O41at the CuK-edge was thus successful. Though the inelastic intensity becomes weaker by two orders than the ambient pressure, RIXS spectra both at the center and the edge of the Brillouin zone were obtained at 3 GPa and low-energy electronic excitations of the cuprate were found to change with pressure.

scholarly journals Lab in a DAC – high-pressure crystal chemistry in a diamond-anvil cell

2019 ◽  
Vol 75 (6) ◽  
pp. 918-926 ◽  
Author(s):  
Andrzej Katrusiak
Keyword(s):  
High Pressure ◽  
Diamond Anvil Cell ◽  
Ambient Pressure ◽  
Elevated Pressure ◽  
Sample Volume ◽  
Chemical Research ◽  
New Era ◽  
New Information ◽  
Intermolecular Contacts ◽  
Diamond Anvil

The diamond-anvil cell (DAC) was invented 60 years ago, ushering in a new era for material sciences, extending research into the dimension of pressure. Most structural determinations and chemical research have been conducted at ambient pressure, i.e. the atmospheric pressure on Earth. However, modern experimental techniques are capable of generating pressure and temperature higher than those at the centre of Earth. Such extreme conditions can be used for obtaining unprecedented chemical compounds, but, most importantly, all fundamental phenomena can be viewed and understood from a broader perspective. This knowledge, in turn, is necessary for designing new generations of materials and applications, for example in the pharmaceutical industry or for obtaining super-hard materials. The high-pressure chambers in the DAC are already used for a considerable variety of experiments, such as chemical reactions, crystallizations, measurements of electric, dielectric and magnetic properties, transformations of biological materials as well as experiments on living tissue. Undoubtedly, more applications involving elevated pressure will follow. High-pressure methods become increasingly attractive, because they can reduce the sample volume and compress the intermolecular contacts to values unattainable by other methods, many times stronger than at low temperature. The compressed materials reveal new information about intermolecular interactions and new phases of single- and multi-component compounds can be obtained. At the same time, high-pressure techniques, and particularly those of X-ray diffraction using the DAC, have been considerably improved and many innovative developments implemented. Increasingly more equipment of in-house laboratories, as well as the instrumentation of beamlines at synchrotrons and thermal neutron sources are dedicated to high-pressure research.

scholarly journals The Phase Transition and Dehydration in Epsomite under High Temperature and High Pressure

Crystals ◽  
2020 ◽  
Vol 10 (2) ◽  
pp. 75 ◽  
Author(s):  
Linfei Yang ◽  
Lidong Dai ◽  
Heping Li ◽  
Haiying Hu ◽  
Meiling Hong ◽  
...  
Keyword(s):  
Phase Transition ◽  
Electrical Conductivity ◽  
High Pressure ◽  
High Temperature ◽  
Magnesium Sulfate ◽  
Room Temperature ◽  
Diamond Anvil Cell ◽  
Vibrational Modes ◽  
Diamond Anvil ◽  
T Phase

The phase stability of epsomite under a high temperature and high pressure were explored through Raman spectroscopy and electrical conductivity measurements in a diamond anvil cell up to ~623 K and ~12.8 GPa. Our results verified that the epsomite underwent a pressure-induced phase transition at ~5.1 GPa and room temperature, which was well characterized by the change in the pressure dependence of Raman vibrational modes and electrical conductivity. The dehydration process of the epsomite under high pressure was monitored by the variation in the sulfate tetrahedra and hydroxyl modes. At a representative pressure point of ~1.3 GPa, it was found the epsomite (MgSO4·7H2O) started to dehydrate at ~343 K, by forming hexahydrite (MgSO4·6H2O), and then further transformed into magnesium sulfate trihydrate (MgSO4·3H2O) and anhydrous magnesium sulfate (MgSO4) at higher temperatures of 373 and 473 K, respectively. Furthermore, the established P-T phase diagram revealed a positive relationship between the dehydration temperature and the pressure for epsomite.

Indexing of multi-particle diffraction data in a high-pressure single-crystal diffraction experiment

2013 ◽  
Vol 46 (2) ◽  
pp. 387-390 ◽  
Author(s):  
Hui Li ◽  
Xiaodong Li ◽  
Meng He ◽  
Yanchun Li ◽  
Jing Liu ◽  
...  
Keyword(s):  
Genetic Algorithm ◽  
High Pressure ◽  
Single Crystal ◽  
Single Crystals ◽  
Diffraction Data ◽  
Reciprocal Lattice ◽  
Powder Pattern ◽  
Diffraction Experiment ◽  
Crystal Data ◽  
Single Crystal Diffraction

High-pressure single-crystal diffraction experiments often suffer from the crushing of single crystals due to the application of high pressure. Consequently, only diffraction data resulting from several particles in random orientations is available, which cannot be routinely indexed by commonly used methods designed for single-crystal data. A protocol is proposed to index such diffraction data. The techniques of powder pattern indexing are first used to propose the possible lattice parameters, and then a genetic algorithm is applied to determine the orientation of the reciprocal lattice for each of the particles. This protocol has been verified experimentally.

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