scholarly journals Synthesis of FeN4at 180 GPa and its crystal structure from a submicron-sized grain

2018 ◽  
Vol 74 (10) ◽  
pp. 1392-1395 ◽  
Author(s):  
Maxim Bykov ◽  
Saiana Khandarkhaeva ◽  
Timofey Fedotenko ◽  
Pavel Sedmak ◽  
Natalia Dubrovinskaia ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Diamond Anvil Cell ◽  
Structural Model ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Wyckoff Position ◽  
Diamond Anvil ◽  
Laser Heated

Iron tetranitride, FeN4, was synthesized from the elements in a laser-heated diamond anvil cell at 180 (5) GPa and 2700 (200) K. Its crystal structure was determined based on single-crystal X-ray diffraction data collected from a submicron-sized grain at the synchrotron beamline ID11 of ESRF. The compound crystallizes in the triclinic space groupP\overline{1}. In the asymmetric unit, the Fe atom occupies an inversion centre (Wyckoff position 1d), while two N atoms occupy general positions (2i). The structure is made up from edge-sharing [FeN6] octahedra forming chains along [100] and being interconnected through N—N bridges. N atoms formcatena-poly[tetraz-1-ene-1,4-diyl] anions [–N=N—N—N–]∞2−running along [001]. In comparison with the previously reported structure of FeN4at 135 GPa [Bykovet al.(2018).Nat. Commun.9, 2756], the crystal structure of FeN4at 180 GPa is similar but the structural model is significantly improved in terms of the precision of the bond lengths and angles.

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 Crystal structure refinement of magnesium zinc divanadate, MgZnV2O7, from powder X-ray diffraction data

2021 ◽  
Vol 77 (6) ◽  
pp. 588-591
Author(s):  
Stephanie J. Hong ◽  
Jun Li ◽  
Mas A. Subramanian
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Structure Refinement ◽  
Atomic Ratio ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
X Ray ◽  
Trigonal Bipyramidal ◽  
Wyckoff Position ◽  
Distorted Trigonal Bipyramidal

The crystal structure of magnesium zinc divanadate, MgZnV2O7, was determined and refined from laboratory X-ray powder diffraction data. The title compound was synthesized by a solid-state reaction at 1023 K in air. The crystal structure is isotypic with Mn0.6Zn1.4V2O7 (C2/m; Z = 6) and is related to the crystal structure of thortveitite. The asymmetric unit contains two metal sites with statistically distributed magnesium and zinc atoms with the atomic ratio close to 1:1. One (Mg/Zn) metal site (M1) is located on Wyckoff position 8j and the other (M2) on 4h. Three V sites (all on 4i), and eight O (three 8j, four 4i, and one 2b) sites complete the asymmetric unit. The structure is an alternate stacking of V2O7 layers and (Mg/Zn) atom layers along [20\overline{1}]. It is distinct from other related structures in that each V2O7 layer consists of two groups: a V2O7 dimer and a V4O14 tetramer. Mixed-occupied M1 and M2 are coordinated by oxygen atoms in distorted trigonal bipyramidal and octahedral sites, respectively.

Construction of laser-heated diamond anvil cell system for in situ x-ray diffraction study at SPring-8

2001 ◽  
Vol 72 (2) ◽  
pp. 1289 ◽  
Author(s):  
Tetsu Watanuki ◽  
Osamu Shimomura ◽  
Takehiko Yagi ◽  
Tadashi Kondo ◽  
Maiko Isshiki
Keyword(s):  
Diffraction Study ◽  
Diamond Anvil Cell ◽  
Cell System ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diamond Anvil ◽  
Laser Heated

In situ synchrotron X-ray diffraction study of the formation of TaB2 from the elements in a laser heated diamond anvil cell

2010 ◽  
Vol 12 (12) ◽  
pp. 2059-2064 ◽  
Author(s):  
Björn Winkler ◽  
Erick A. Juarez-Arellano ◽  
Alexandra Friedrich ◽  
Lkhamsuren Bayarjargal ◽  
Florian Schröder ◽  
...  
Keyword(s):  
Diffraction Study ◽  
Diamond Anvil Cell ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diamond Anvil ◽  
Laser Heated

Crystal structure and the equation of state of thorium monophosphide for pressures up to 50 GPa

1989 ◽  
Vol 22 (1) ◽  
pp. 61-63 ◽  
Author(s):  
J. S. Olsen ◽  
L. Gerward ◽  
U. Benedict ◽  
H. Luo ◽  
O. Vogt
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
High Pressure ◽  
Synchrotron Radiation ◽  
Diamond Anvil Cell ◽  
X Ray Diffraction ◽  
Pressure Derivative ◽  
X Ray ◽  
Cscl Structure ◽  
Diamond Anvil

High-pressure X-ray diffraction studies have been performed on ThP using synchrotron radiation and a diamond-anvil cell. The bulk modulus B 0 and its pressure derivative B′0 have been determined (B 0 = 137 GPa; B′0 = 5.1). A phase transition from the NaCl structure to the CsCl structure was observed at about 30 GPa.

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.

In situ synchrotron X-ray diffraction in the laser-heated diamond anvil cell: Melting phenomena and synthesis of new materials

2014 ◽  
Vol 277-278 ◽  
pp. 15-30 ◽  
Author(s):  
Ashkan Salamat ◽  
Rebecca A. Fischer ◽  
Richard Briggs ◽  
Malcolm I. McMahon ◽  
Sylvain Petitgirard
Keyword(s):  
Diamond Anvil Cell ◽  
New Materials ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diamond Anvil ◽  
Laser Heated

scholarly journals Crystal structure of calcium perchlorate anhydrate, Ca(ClO4)2, from laboratory powder X-ray diffraction data

2018 ◽  
Vol 74 (4) ◽  
pp. 514-517 ◽  
Author(s):  
Dongmin Lee ◽  
Hyeri Bu ◽  
Dohwan Kim ◽  
Jooeun Hyoung ◽  
Seung-Tae Hong
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Powder Diffraction Data ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Wyckoff Position ◽  
Hydrated Calcium

The crystal structure of calcium perchlorate anhydrate was determined from laboratory X-ray powder diffraction data. The title compound was obtained by heating hydrated calcium perchlorate [Ca(ClO4)2·xH2O] at 623 K in air for 12 h. It crystallizes in the orthorhombic space group Pbca and is isotypic with Ca(AlD4)2. The asymmetric unit contains one Ca, two Cl and eight O sites, all on general sites (Wyckoff position 8c). The crystal structure consists of isolated ClO4 − tetrahedra and Ca2+ cations. The Ca2+ cation is coordinated by eight O atoms of eight symmetry-related ClO4 − tetrahedra within a distorted square-antiprismatic environment.

X-ray diffraction in the pulsed laser heated diamond anvil cell

2010 ◽  
Vol 81 (11) ◽  
pp. 113902 ◽  
Author(s):  
Alexander F. Goncharov ◽  
Vitali B. Prakapenka ◽  
Viktor V. Struzhkin ◽  
Innokenty Kantor ◽  
Mark L. Rivers ◽  
...  
Keyword(s):  
Diamond Anvil Cell ◽  
Pulsed Laser ◽  
X Ray Diffraction ◽  
X Ray ◽  
Diamond Anvil ◽  
Laser Heated

Crystal structure determination of the silver carboxylate dimer [Ag(O2C22H43)]2, silver behenate, using powder X-ray diffraction methods

2011 ◽  
Vol 26 (4) ◽  
pp. 313-320 ◽  
Author(s):  
Thomas N. Blanton ◽  
Manju Rajeswaran ◽  
Peter W. Stephens ◽  
David R. Whitcomb ◽  
Scott T. Misture ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Density Functional ◽  
Structural Model ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Cell Dimensions ◽  
Alkyl Side Chains ◽  
Silver Carboxylate

High-resolution powder X-ray diffraction has been used to determine the crystal structure of silver behenate, [Ag(O2C(CH2)20CH3]2. Using CASTEP density functional plane wave pseudopotential techniques to obtain an optimized structural model, Rietveld refinement of the structure gives Rwp = 8.66%. The unit cell is triclinic, space group P1, with cell dimensions of a = 4.1769(2) Å, b = 4.7218(2) Å, c = 58.3385(1) Å, α = 89.440(3)°, β = 89.634(3)°, γ = 75.854(1)°. The structure is characterized by an 8-membered ring dimer of Ag atoms and carboxyl groups with a fully extended all-trans configuration of the alkyl side chains. The dimers are joined by four-membered Ag-O rings creating a polymeric network, giving rise to one-dimensional chains along the b-axis. This structure is supported by EXAFS measurements of the local structure around the silver atoms and IR measurements.

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