Structure refinement of black phosphorus under high pressure

2020 ◽  
Vol 153 (1) ◽  
pp. 014704
Author(s):  
Yuichi Akahama ◽  
Masashi Miyakawa ◽  
Takashi Taniguchi ◽  
Asami Sano-Furukawa ◽  
Shinichi Machida ◽  
...  
Keyword(s):  
High Pressure ◽  
Structure Refinement ◽  
Black Phosphorus

scholarly journals Interlayer Bond Formation in Black Phosphorus at High Pressure

2017 ◽  
Vol 129 (45) ◽  
pp. 14323-14328 ◽  
Author(s):  
Demetrio Scelta ◽  
Adhara Baldassarre ◽  
Manuel Serrano-Ruiz ◽  
Kamil Dziubek ◽  
Andrew B. Cairns ◽  
...  
Keyword(s):  
High Pressure ◽  
Bond Formation ◽  
Black Phosphorus ◽  
Interlayer Bond

Crystal and powder XRD data of Mg3(PO4)2-III: High-temperature and high-pressure form

1995 ◽  
Vol 10 (4) ◽  
pp. 293-295 ◽  
Author(s):  
F. Brunet ◽  
C. Chopin ◽  
A. Elfakir ◽  
M. Quarton
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
High Temperature ◽  
Single Crystal ◽  
Diffraction Pattern ◽  
Structure Refinement ◽  
Powder Xrd ◽  
Single Crystal Structure ◽  
Crystal Structure Refinement ◽  
Pressure Form

A new diffraction pattern of the high-temperature and high-pressure polymorph Mg3(PO4)2-III (PDF 43-500) is given and indexed on the basis of a single-crystal structure refinement. It allows diffractogram indexing of the isostructural high-temperature and high-pressure form of Co3(PO4)2 (PDF 43-499).

Microporous crystal structure of labuntsovite-Fe and high-pressure behavior up to 23 GPa

2018 ◽  
Vol 74 (1) ◽  
pp. 1-11 ◽  
Author(s):  
Sergey M. Aksenov ◽  
Elena A. Bykova ◽  
Ramiza K. Rastsvetaeva ◽  
Nikita V. Chukanov ◽  
Irina P. Makarova ◽  
...  
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Single Crystal ◽  
Cross Section ◽  
Structure Refinement ◽  
Alkaline Complex ◽  
X Ray ◽  
Cell Parameters ◽  
Diamond Anvil ◽  
The Stability

Labuntsovite-Fe, an Fe-dominant member of the labuntsovite subgroup, was first discovered in the Khibiny alkaline massif on Mt Kukisvumchorr [Khomyakov et al. (2001). Zap. Vseross. Mineral. Oba, 130, 36–45]. However, no data are published about the crystal structure of this mineral. Labuntsovite-Fe from a peralkaline pegmatite located on Mt Nyorkpakhk, in the Khibiny alkaline complex, Kola Peninsula, Russia, has been investigated by means of electron microprobe analyses, single-crystal X-ray structure refinement, and IR and Raman spectroscopies. Monoclinic unit-cell parameters of labuntsovite-Fe are: a = 14.2584 (4), b = 13.7541 (6), c = 7.7770 (2) Å, β = 116.893 (3)°; V = 1360.22 (9) Å3; space group C2/m. The structure was refined to final R 1 = 0.0467, wR 2 = 0.0715 for 3202 reflections [I > 3σ(I)]. The refined crystal chemical formula is (Z = 2): Na2K2Ba0.7[(Fe0.5Ti0.1Mg0.05)(H2O)1.3]{[Ti2(Ti1.9Nb0.1)(O,OH)4][Si4O12]2}·4H2O. The high-pressure in situ single-crystal X-ray diffraction study of the labuntsovite-Fe has been carried out in a diamond anvil cell. The labuntsovite-type structure is stable up to 23 GPa and phase transitions are not observed. Calculations using the BM3 equation of state resulted in the bulk modulus K = 72 (2) GPa, K′0 = 3.7 (2) and V 0 = 1363 (2) Å3. Compressing of the heteropolyhedral zeolite-like framework leads to the deformation of main structural units. Octahedral rods show the gradual increase of distortion and the wave-like character of rods becomes more distinct. Rod deformations result in the distortion of the silicon–oxygen ring which is not equal in different directions. Structural channels are characterized by a different ellipticity–pressure relationship: the cross-section of the largest channel I and channel II demonstrates the stability of the geometrical characteristics which practically do not depend on pressure: ∊channel I ≃ 0.85 (4) (cross-section is rather regular) and ∊channel II ≃ 0.52 (2) within the whole pressure range. However, channel III is characterized by the increasing of ellipticity with pressure (∊ = 0.40 → 0.10).

The mechanism of structural changes and crystallization kinetics of amorphous red phosphorus to black phosphorus under high pressure

2019 ◽  
Vol 55 (56) ◽  
pp. 8094-8097 ◽  
Author(s):  
Heng Xiang ◽  
Yuting Nie ◽  
Hechuang Zheng ◽  
Xuhui Sun ◽  
Xueliang Sun ◽  
...  
Keyword(s):  
High Pressure ◽  
Crystallization Kinetics ◽  
Structural Changes ◽  
Black Phosphorus ◽  
Crystallization Mechanism ◽  
Red Phosphorus ◽  
Kinetics Of

Revealing the untraditional crystallization mechanism of amorphous red phosphorus to black phosphorus under high pressure.

Notizen: Hochdrucksynthese und Einkristall-Strukturverfeinerung von Calciumaurat(III), CaAu2O4 / High Pressure Synthesis and Single-Crystal Structure Refinement of Calcium Aurate (III), CaAu2O4

1996 ◽  
Vol 51 (5) ◽  
pp. 747-750 ◽  
Author(s):  
Anja Louzikova ◽  
Klaus-Jürgen Range
Keyword(s):  
High Pressure ◽  
Structure Refinement ◽  
Three Dimensional ◽  
Pressure Treatment ◽  
Partial Structure ◽  
High Pressure Treatment ◽  
Square Planar ◽  
Ca Ions ◽  
Pressure Synthesis ◽  
Type Apparatus

Single crystals of calcium aurate(III), CaAu2O4, were obtained by high-pressure treatment of a CaO/Au2O3/KO2 mixture at 40 kbar, 1200 °C in a modified Belt-type apparatus. The crystals are tetragonal, space group I41/a, with a = 5.9868(7), c = 10.043(1) Å, c/a = 1.678 and Z = 4.CaAu2O4 is isostructural with LaPd2O4, SrAu2O4 and BaAu2O4. Its structure comprises square-planar AuO4 groups (< Au-O > = 2.007 Å), which are stacked into columns along [100] and [010], These columns are connected by shared corners forming a three-dimensional framework. The Ca ions are situated in tunnels created by the gold-oxygen partial structure. They are surrounded by eight oxygen atoms (<Ca-O> = 2.490 Å) in a slightly distorted dodecahedron.

The high pressure phases β- and δ-V2O5: structure refinement, electrical and optical properties, thermal stability

2013 ◽  
Vol 33 (2) ◽  
pp. 399-408 ◽  
Author(s):  
Igor P. Zibrov ◽  
Vladimir P. Filonenko ◽  
Sergey G. Lyapin ◽  
Vladimir A. Sidorov
Keyword(s):  
Thermal Stability ◽  
High Pressure ◽  
Optical Properties ◽  
Structure Refinement ◽  
Electrical And Optical Properties

scholarly journals High-Pressure Polymeric Nitrogen Allotrope with the Black Phosphorus Structure

2020 ◽  
Vol 124 (21) ◽  
Author(s):  
Dominique Laniel ◽  
Bjoern Winkler ◽  
Timofey Fedotenko ◽  
Anna Pakhomova ◽  
Stella Chariton ◽  
...  
Keyword(s):  
High Pressure ◽  
Black Phosphorus ◽  
Polymeric Nitrogen

Absorption corrections for diamond-anvil pressure cells implemented in the software packageAbsorb6.0

2004 ◽  
Vol 37 (3) ◽  
pp. 486-492 ◽  
Author(s):  
R. J. Angel
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
Software Package ◽  
Structure Refinement ◽  
Intensity Data ◽  
Crystal Structure Refinement ◽  
Pressure Cell ◽  
Transmission Geometry ◽  
Diamond Anvil ◽  
Microsoft Windows

High-pressure single-crystal structure refinement requires intensity data that have been corrected for the various absorption effects in the pressure cell. In this contribution, the methods for calculating the absorption corrections for a transmission-geometry diamond-anvil pressure cell are reviewed. The ideas presented in this paper have been implemented in a software package for Microsoft Windows,Absorb6.0, available at http://www.crystal.vt.edu/.

Structure refinement of Tm2S3-IV, a defect-Th3P4-type high pressure modification of thulium sesquisulphide

1990 ◽  
Vol 158 (1) ◽  
pp. L21-L25 ◽  
Author(s):  
K.-J. Range ◽  
A. Gietl ◽  
U. Klement ◽  
K.G. Lange
Keyword(s):  
High Pressure ◽  
Structure Refinement
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