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.

HIGH-PRESSURE STRUCTURE STUDY OF CuBa2Ca3Cu4O10 + δ SUPERCONDUCTOR

2005 ◽  
Vol 19 (06) ◽  
pp. 313-316
Author(s):  
X. M. QIN ◽  
Y. YU ◽  
G. M. ZHANG ◽  
F. Y. LI ◽  
J. LIU ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Room Temperature ◽  
Diamond Anvil Cell ◽  
Structure Study ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diamond Anvil ◽  
Murnaghan Equation

In-situ high-pressure energy dispersive X-ray diffraction measurements on CuBa 2- Ca 3 Cu 4 O 10 + δ (Cu-1234) have been performed by using diamond anvil cell (DAC) device with synchrotron radiation. The results suggest that the crystal structure of Cu-1234 superconductor is stable under pressures up to 34 GPa at room temperature. According to the Birch–Murnaghan equation of state, the bulk modulus is obtained to be ~ 150 GPa.

The alunite supergroup under high pressure: the case of natrojarosite, NaFe3(SO4)2(OH)6

2013 ◽  
Vol 77 (7) ◽  
pp. 3007-3017 ◽  
Author(s):  
F. Nestola ◽  
S. J. Mills ◽  
B. Periotto ◽  
L. Scandolo
Keyword(s):  
High Pressure ◽  
Single Crystal ◽  
Maximum Pressure ◽  
X Ray Diffraction ◽  
Third Order ◽  
X Ray ◽  
Cell Parameters ◽  
Diamond Anvil ◽  
Murnaghan Equation ◽  
Volume Decrease

AbstractA single crystal of natrojarosite, NaFe3(SO4)2(OH)6, was investigated by single-crystal X-ray diffraction at high-pressure conditions (up to 8.8 GPa) using a diamond-anvil cell. The unit-cell parameters were determined at 11 different pressures and no indications of a phase transition were found up to the maximum pressure reached. The volume and axial moduli were fitted to a third-order Birch–Murnaghan equation-of-state which gave the following values: V0 = 769.6(2) Å3, KT0 = 50.6(9) GPa, K' = 9.9(4); a = 7.3172(6) Å, KT0 = 104(2), K' = 7.6(9); c = 16.5965(20) Å, KT0 = 24.6(4) and K' = 7.1(2). The crystal structure of natrojarosite was refined at seven different pressures up to 8.779(11) GPa [a = 7.3170(4), c = 16.5955(5) Å and V = 769.46(9) Å3 in Rm at 0.00010(1) GPa and a = 7.1594(8), c = 15.6003(17) Å and V = 692.49(8) Å3 at 8.779(11) GPa]. The structural analysis shows that the 12-fold Na polyhedron accommodates most of the deformation by a large volume decrease (14%) and strong polyhedral distortion (63%). Our results indicate that natrojarosite has the most compressible structure of the supergroup studied so far, and has a very strong axial anisotropy.

scholarly journals The High Pressure Behavior of Galenobismutite, PbBi2S4: A Synchrotron Single Crystal X-ray Diffraction Study

Crystals ◽  
2019 ◽  
Vol 9 (4) ◽  
pp. 210 ◽  
Author(s):  
Paola Comodi ◽  
Azzurra Zucchini ◽  
Tonci Balić-Žunić ◽  
Michael Hanfland ◽  
Ines Collings
Keyword(s):  
High Pressure ◽  
Single Crystal ◽  
Structural Changes ◽  
Calcium Ferrite ◽  
X Ray Diffraction ◽  
Third Order ◽  
Electron Pairs ◽  
X Ray ◽  
Cation Sites ◽  
Murnaghan Equation

High-pressure single-crystal synchrotron X-ray diffraction data for galenobismutite, PbBi2S4 collected up to 20.9 GPa, were fitted by a third-order Birch-Murnaghan equation of state, as suggested by a FE-fE plot, yielding V0 = 697.4(8) Å3, K0 = 51(1) GPa and K’ = 5.0(2). The axial moduli were M0a = 115(7) GPa and Ma’ = 28(2) for the a axis, M0b = 162(3) GPa and Mb’ = 8(3) for the b axis, M0c = 142(8) GPa and Mc’ = 26(2) for the c axis, with refined values of a0, b0, c0 equal to 11.791(7) Å, 14.540(6) Å 4.076(3) Å, respectively, and a ratio equal to M0a:M0b:M0c = 1.55:1:1.79. The main structural changes on compression were the M2 and M3 (occupied by Bi, Pb) movements toward the centers of their respective trigonal prism bodies and M3 changes towards CN8. The M1 site, occupied solely by Bi, regularizes the octahedral form with CN6. The eccentricities of all cation sites decreased with compression testifying for a decrease in stereochemical expression of lone electron pairs. Galenobismutite is isostructural with calcium ferrite CaFe2O4, the suggested high pressure structure can host Na and Al in the lower mantle. The study indicates that pressure enables the incorporation of other elements in this structure, increasing its potential significance for mantle mineralogy.

scholarly journals Structural Study of δ-AlOOH Up to 29 GPa

Minerals ◽  
2020 ◽  
Vol 10 (12) ◽  
pp. 1055
Author(s):  
Dariia Simonova ◽  
Elena Bykova ◽  
Maxim Bykov ◽  
Takaaki Kawazoe ◽  
Arkadiy Simonov ◽  
...  
Keyword(s):  
Phase Transition ◽  
Synchrotron Radiation ◽  
Equation Of State ◽  
Room Temperature ◽  
Diamond Anvil Cell ◽  
Volume Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diamond Anvil ◽  
Murnaghan Equation

A structure and equation of the state of δ-AlOOH has been studied at room temperature, up to 29.35 GPa, by means of single crystal X-ray diffraction in a diamond anvil cell using synchrotron radiation. Above ~10 GPa, we observed a phase transition with symmetry changes from P21nm to Pnnm. Pressure-volume data were fitted with the second order Birch-Murnaghan equation of state and showed that, at the phase transition, the bulk modulus (K0) of the calculated wrt 0 pressure increases from 142(5) to 216(5) GPa.

Equation of state and electrical transport properties of mixture of Li1.2Mn0.54Co0.13Ni0.13O2 and LiNi0.87Co0.09Mn0.03Al0.01O2 at high pressure

2021 ◽  
pp. 2150227
Author(s):  
Lun Xiong ◽  
Pu Tu ◽  
Yongqing Hu ◽  
Xiang Hou ◽  
Shiyun Wu ◽  
...  
Keyword(s):  
High Pressure ◽  
Equation Of State ◽  
Electrical Transport ◽  
Room Temperature ◽  
Diamond Anvil Cell ◽  
Hexagonal Structure ◽  
X Ray Diffraction ◽  
Electrical Transport Properties ◽  
X Ray ◽  
Diamond Anvil

The equation of state (EOS) of mixture of Li[Formula: see text]Mn[Formula: see text]Co[Formula: see text]Ni[Formula: see text]O2 and LiNi[Formula: see text] Co[Formula: see text]Mn[Formula: see text]Al[Formula: see text]O2 was studied by synchrotron radiation X-ray diffraction (XRD) at room-temperature in a diamond anvil cell (DAC). The results showed that the hexagonal structure is maintained to the highest pressure of 23.1 GPa. The bulk modulus and its first derivative obtained from XRD data are [Formula: see text] GPa and [Formula: see text], respectively. In addition, we have investigated the high-pressure electrical conductivity of the mixture of Li[Formula: see text]Mn[Formula: see text]Co[Formula: see text]Ni[Formula: see text]O2 and LiNi[Formula: see text]Co[Formula: see text]Mn[Formula: see text]Al[Formula: see text]O2 to 22.9 GPa in a DAC. It is found that the resistance decreases with the increase of pressure and changes exponentially.

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.

scholarly journals Comparison between beryllium and diamond-backing plates in diamond-anvil cells: Application to single-crystal x-ray diffraction high-pressure data

2011 ◽  
Vol 82 (5) ◽  
pp. 055111 ◽  
Author(s):  
Benedetta Periotto ◽  
Fabrizio Nestola ◽  
Tonci Balic-Zunic ◽  
Ross J. Angel ◽  
Ronald Miletich ◽  
...  
Keyword(s):  
High Pressure ◽  
Single Crystal ◽  
Pressure Data ◽  
X Ray Diffraction ◽  
Diamond Anvil Cells ◽  
X Ray ◽  
Diamond Anvil

Chemistry through cocrystals: pressure-induced polymerization of C2H2·C6H6to an extended crystalline hydrocarbon

2018 ◽  
Vol 20 (10) ◽  
pp. 7282-7294 ◽  
Author(s):  
Matthew D. Ward ◽  
Haw-Tyng Huang ◽  
Li Zhu ◽  
Arani Biswas ◽  
Dmitry Popov ◽  
...  
Keyword(s):  
Raman Spectroscopy ◽  
Single Crystal ◽  
Diamond Anvil Cell ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diamond Anvil

The 1 : 1 acetylene–benzene cocrystal, C2H2·C6H6, was synthesized under pressure in a diamond anvil cell (DAC) and its evolution under pressure was studied with single-crystal X-ray diffraction and Raman spectroscopy.

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