Crystal Structure, Phase and Elemental Composition and Chemical Bonding in Bi1−X A X FeO3±Y Systems (A = Sr, Ca; 0 ≤X ≤ 1) from X-ray Diffraction, Mössbauer, and X-ray Photoelectron Spectra

Author(s):  
A. T. Kozakov ◽  
A. G. Kochur ◽  
V. I. Torgashev ◽  
S. P. Kubrin ◽  
V. G. Trotsenko ◽  
...  
2020 ◽  
Vol 76 (3) ◽  
pp. 298-301 ◽  
Author(s):  
Ivan Bernal ◽  
Roger A. Lalancette

Chemists of the late 19th century, including Alfred Werner, prepared salts containing either green or violet cations of composition [CoCl2(en)2]+ (en is ethylenediamine, C2H8N2); we now refer to these as trans-dichloro and cis-dichloro species. We have discovered a third salt, purple in color, containing cations of the same elemental composition and whose asymmetric unit composition is [CoCl2(en)2]2Cl2·3H2O, in which the cobalt cations are a cis:trans dichloro pair. Such a discovery would undermine Werner's argument that if only two forms can be prepared, his octahedral theory was proven. Probably because his students never examined their crystals under a microscope, they failed to observe the `third' species, thereby ruining Werner's argument since he relied strictly on color to identify them. That was fortunate since our purple salt would have led him to abandon, or certainly delay, his momentous discovery. Our crystals consist of a 1:1 mixture of the cis and trans cations, thereby sharing the same elemental analysis and conductivity as the single salts, but not their crystal structure, inasmuch as X-ray diffraction had not even been discovered then. Serendipitously, our discovery would have been a great boon to his theoretical acumen, while his `two-color' argument may have doomed him.


Author(s):  
Hidetomo Hongu ◽  
Akira Yoshiasa ◽  
Massimo Nespolo ◽  
Tsubasa Tobase ◽  
Makoto Tokuda ◽  
...  

Petzite, Ag3AuTe2, crystallizes in the space group I4132, which is a Sohncke type of space group where chiral crystal structures can occur. The structure refinement of petzite reported long ago [Frueh (1959). Am. Mineral. 44, 693–701] did not provide any information about the absolute structure. A new single-crystal X-ray diffraction refinement has now been performed on a sample from Lake View Mine, Golden Mile, Kalgoorlie, Australia, which has resulted in a reliable absolute structure [a Flack parameter of 0.05 (3)], although this corresponds to the opposite enantiomorph reported previously. The minimum Te–Te distance is 3.767 (3) Å, slightly shorter than the van der Waals bonding distance, which suggests a weak interaction between the two chalcogens. XANES spectra near the Au and Te L III edges suggest that the chemical-bonding character of Au in petzite is more metallic than in other gold minerals.


Author(s):  
Ranuri S Dissanayaka Mudiyanselage ◽  
Madalynn Marshall ◽  
Tai Kong ◽  
Weiwei Xie

The results of the structural determination, magnetic characterization, and theoretical calculations of a new ruthenium-oxo complex, Li4[Ru2OCl10]·10H2O, are presented. Single crystals were grown using solvent methods and the crystal structure was characterized by single crystal X-ray diffraction. Li4[Ru2OCl10]·10H2O crystallizes into a low-symmetry triclinic structure (P 1) due to the much smaller Li+ cation compared to K+ cation in the tetragonal complex K4[Ru2OCl10]·H2O. The X-ray photoelectron spectra confirm only the single valent Ru4+ in Li4[Ru2OCl10]·10H2O even though two distinct Ru sites exist in the crystal structure. Magnetic measurements reveal the diamagnetic property of Li4[Ru2OCl10]·10H2O with unpaired electrons existing on Ru4+. Furthermore, the molecular orbital analysis matches well with the observed UV and magnetic measurements.


2007 ◽  
Vol 62 (7) ◽  
pp. 935-940 ◽  
Author(s):  
Ying Liang ◽  
Raul Cardoso-Gil ◽  
Walter Schnelle ◽  
Marcus Schmidt ◽  
Jing Tai Zhao ◽  
...  

Abstract The binary compound Yb5Bi3 was synthesized by reaction of the elements in a sealed Ta container. Its crystal structure was determined from single-crystal X-ray diffraction data: β -Yb5Sb3-type, space group Pnma, Pearson code oP32, a = 12.6375(6), b = 9.7243(4), c = 8.4117(5) Å, V = 1033.72(9) Å3, Z = 4, Rgt(F) = 0.028, wRref(F2) = 0.069, T = 290 K. Band structure calculations and analysis of the chemical bonding suggest mainly ionic interactions in the crystal structure and a possible presence of ytterbium in two valence states Yb2+ and Yb3+. The magnetization measurements showed that at low temperatures Yb5Bi3 contains ytterbium exclusively in the 4f14 configuration without fluctuations to the Yb 4f13 configuration up to 400 K. From the Yb-LIII X-ray absorption spectroscopy data the effective valence of ytterbium was found to be 2.11 (89% of Yb in 4f14 configuration).


Author(s):  
Süheyla Özbey ◽  
F. B. Kaynak ◽  
M. Toğrul ◽  
N. Demirel ◽  
H. Hoşgören

AbstractA new type of inclusion complex, S(–)-1 phenyl ethyl ammonium percholorate complex of R-(–)-2-ethyl - N - benzyl - 4, 7, 10, 13 - tetraoxa -1- azacyclopentadecane, has been prepared and studied by NMR, IR and single crystal X-ray diffraction techniques. The compound crystallizes in space group


2002 ◽  
Vol 67 (4) ◽  
pp. 479-489 ◽  
Author(s):  
Michal Hušák ◽  
Bohumil Kratochvíl ◽  
Ivana Císařová ◽  
Ladislav Cvak ◽  
Alexandr Jegorov ◽  
...  

Two new structures of semisynthetic ergot alkaloid terguride created by unusual number of symmetry-independent molecules were determined by X-ray diffraction methods at 150 K. Form A (monoclinic, P212121, Z = 12) contains three symmetry-independent terguride molecules and two molecules of water in the asymmetric part of the unit cell. The form CA (monoclinic, P21, Z = 8) is an anhydrate remarkable by the presence of four symmetry-independent molecules in the crystal structure. Conformations of twelve symmetry-independent molecules that were found in four already described terguride structures are compared with torsion angles obtained by ab initio quantum-mechanical calculations for the simplified model of N-cyclohexyl-N'-diethylurea.


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