Refinement of the (NH4)3H(SO4)2 crystal structure: II. X-ray and neutron single-crystal diffraction from phase II at room temperature

Author(s):  
M. Reehuis ◽  
K. Wozniak ◽  
P. Dominiak ◽  
L. S. Smirnov ◽  
I. Natkaniec ◽  
...  
2020 ◽  
Author(s):  
Keishiro Yamashita ◽  
Kazuki Komatsu ◽  
Hiroyuki Kagi

An crystal-growth technique for single crystal x-ray structure analysis of high-pressure forms of hydrogen-bonded crystals is proposed. We used alcohol mixture (methanol: ethanol = 4:1 in volumetric ratio), which is a widely used pressure transmitting medium, inhibiting the nucleation and growth of unwanted crystals. In this paper, two kinds of single crystals which have not been obtained using a conventional experimental technique were obtained using this technique: ice VI at 1.99 GPa and MgCl<sub>2</sub>·7H<sub>2</sub>O at 2.50 GPa at room temperature. Here we first report the crystal structure of MgCl2·7H2O. This technique simultaneously meets the requirement of hydrostaticity for high-pressure experiments and has feasibility for further in-situ measurements.


1994 ◽  
Vol 47 (2) ◽  
pp. 391 ◽  
Author(s):  
CJ Kepert ◽  
BW Skeleton ◽  
AH White

The room-temperature single-crystal X-ray structural characterization of the title compound (tpyH2)2[Tb(OH2)8]Cl7.~2⅓H2O is recorded. Crystals are triclinic, Pī , a 17.063(5), b 16.243(3), c 7.878(3) Ǻ, α 84.78(2), β 84.39(3), γ 87.81(2)°, Z = 2 formula units; 3167 'observed' diffractometer reflections were refined by full-matrix least-squares procedures to a residual of 0.057. Notable features of interest of the compound are the 'chelation' of chloride ions by the terpyridinium cations , and the existence of a free [Tb(OH2)8]2+ cation in the presence of an abundance of chloride ions.


CrystEngComm ◽  
2021 ◽  
Author(s):  
Gennady V. Shilov ◽  
Elena I. Zhilyaeva ◽  
Sergey M. Aldoshin ◽  
Alexandra M Flakina ◽  
Rustem B. Lyubovskii ◽  
...  

Electrical resistivity measurements of a dual layered organic conductor (ET)4ZnBr4(1,2-C6H4Cl2) above room temperature show abrupt changes in resistivity at 320 K. Single-crystal X-ray diffraction studies in the 100-350 K range...


2014 ◽  
Vol 2014 ◽  
pp. 1-6 ◽  
Author(s):  
Ramadan M. El-mehdawi ◽  
Abdussalam N. EL-dewik ◽  
Mufida M. Ben-Younes ◽  
Fathia A. Treish ◽  
Ramadan G. Abuhmaiera ◽  
...  

The title complex was isolated as a red solid from the reaction of 4-(salicylaldiminato)antipyrine, HL, and cobalt (II) acetate in ethanol. The complex has been characterized by elemental analysis, FTIR, UV-Vis, and X-ray single crystal diffraction. Two crystallographically different cationic units, A and B, of the title complex are found. Both units are essentially isostructural; nevertheless, small differences exist between them. Both units contain four cobalt atoms arranged at the corners of distorted cubane-like core alternatively with phenoxy oxygen of the Schiff base. In both cases, one cobalt binds to three coordinated sites from the corresponding tridentate Schiff base ligand, and the fourth one was bonded by the acetate oxygen, and the fifth and the sixth donor sites come from the phenolate oxygen of another Schiff base ligand.


2010 ◽  
Vol 65 (12) ◽  
pp. 1427-1433 ◽  
Author(s):  
Christoph Kallfaß ◽  
Constantin Hoch ◽  
Hermann Schier ◽  
Arndt Simon ◽  
Helmut Schuber

The crystal structure of the transition metal-rich orthophosphate mineral arrojadite was reexamined, and the disorder phenomena were analyzed applying modern X-ray single-crystal diffraction and refinement methods on samples from Nickel Plate (USA) and Hagendorf (Germany). As a new feature of the arrojadite structure, two different types of channels oriented along [010] are described. The occupancy of the atomic positions inside these channels have been elucidated.


2019 ◽  
Vol 289 ◽  
pp. 77-81
Author(s):  
Bohdana Belan ◽  
Mykola Manyako ◽  
Katarzyna Pasinska ◽  
Marta Demchyna ◽  
Roman E. Gladyshevskii

The new ternary silicide Dy3Ni11.83(1)Si3.98(1)was synthesized from the elements by arc-melting and its crystal structure was determined by X-ray single-crystal diffraction. The compound crystallizes in a Sc3Ni11Ge4-type structure: Pearson symbolhP38, space groupP63/mmc(No. 194),a= 8.1990(7),c= 8.6840(7) Å,Z= 2;R= 0.0222, wR= 0.0284 for 365 reflections. The structure belongs to a large family of structures related to the EuMg5.2type, with representatives among ternary aluminides, silicides, germanides,etc.


2007 ◽  
Vol 62 (2) ◽  
pp. 143-147 ◽  
Author(s):  
Hansjürgen Mattausch ◽  
Constantin Hoch ◽  
Arndt Simon

Monophasic La6C2Br9 was prepared by heating a mixture of LaBr3, lanthanum metal and carbon in a molar ratio of 3 : 3 : 2 at 840 °C for 5 d. The crystal structure was investigated by X-ray single crystal diffraction (space group C2/c, a = 14.234(3), b = 10.858(2), c = 14.588(3) Å , β = 106.80(3) °). In the structure the La atoms form edge-sharing double tetrahedra. The La tetrahedra are centered by single carbon atoms. The yellow crystals of La6C2Br9 are transparent and electrically insulating.


2008 ◽  
Vol 64 (2) ◽  
pp. 172-176 ◽  
Author(s):  
Marek Daszkiewicz ◽  
Lubomir D. Gulay ◽  
Vasylyna Ya. Shemet

The crystal structure of the R 2SnS5 (R = Pr, Nd, Gd and Tb) compounds has been investigated using X-ray single-crystal diffraction. Crystal architecture and structural relationships among U3S5, Y2HfS5, R 2SnS5 compounds are discussed and a structural origin is determined. It is shown that the complex architecture of the crystal structure of Eu5Sn3S12 is a result of interweaving of the simple crystal structures. The location of the copper ions in the non-stoichiometric compound Y2Cu0.20Sn0.95S5 is proposed on the basis of comparative analysis of the R—S interatomic distances in the R 2SnS5 series of compounds.


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