Structure determination of KScS2, RbScS2and KLnS2(Ln = Nd, Sm, Tb, Dy, Ho, Er, Tm and Yb) and crystal–chemical discussion

2015 ◽  
Vol 71 (7) ◽  
pp. 623-630 ◽  
Author(s):  
Lubomír Havlák ◽  
Jan Fábry ◽  
Margarida Henriques ◽  
Michal Dušek

The title structures of KScS2(potassium scandium sulfide), RbScS2(rubidium scandium sulfide) and KLnS2[Ln = Nd (potassium neodymium sufide), Sm (potassium samarium sulfide), Tb (potassium terbium sulfide), Dy (potassium dysprosium sulfide), Ho (potassium holmium sulfide), Er (potassium erbium sulfide), Tm (potassium thulium sulfide) and Yb (potassium ytterbium sulfide)] are either newly determined (KScS2, RbScS2and KTbS2) or redetermined. All of them belong to the α-NaFeO2structure type in agreement with the ratio of the ionic radiir3+/r+. KScS2, the member of this structural family with the smallest trivalent cation, is an extreme representative of these structures with rare earth trivalent cations. The title structures are compared with isostructural alkali rare earth sulfides in plots showing the dependence of several relevant parameters on the trivalent cation crystal radius; the parameters thus compared arec,aandc/a, the thicknesses of the S—S layers which contain the respective constituent cations, the sulfur fractional coordinatesz(S2−) and the bond-valence sums.

2015 ◽  
Vol 3 (17) ◽  
pp. 4431-4437 ◽  
Author(s):  
Rihong Cong ◽  
Zhengyang Zhou ◽  
Qiaoqi Li ◽  
Junliang Sun ◽  
Jianhua Lin ◽  
...  

The structure determination of Ba6Bi9B79O138 uncovers the mystery of the crystallography of the well-known phosphors REBaB9O16 (RE = rare earth).


Author(s):  
Colin D. McMillen ◽  
Sara Comer ◽  
Kyle Fulle ◽  
Liurukara D. Sanjeewa ◽  
Joseph W. Kolis

The structural variations of several alkali metal rare earth fluoride single crystals are summarized. Two different stoichiometric formulations are considered, namely those of ARE2F7 and ARE3F10 (A = K, Rb, Cs; RE = Y, La–Lu), over a wide range of ionic radii of both the alkali and rare earth (RE) ions. Previously reported and several new single-crystal structures are considered. The new single crystals are grown using hydrothermal methods and the structures are compared with literature reports of structures grown from both melts and hydrothermal fluids. The data reported here are combined with the literature data to gain a greater understanding of structural subtleties surrounding these systems. The work underscores the importance of the size of the cations to the observed structure type and also introduces synthetic technique as a contributor to the same. New insights based on single-crystal structure analysis in the work introduce a new disordered structure type in the case of ARE2F7, and examine the trends and boundaries of the ARE3F10 stoichiometry. Such fundamental structural information is useful in understanding the potential applications of these compounds as optical materials.


1994 ◽  
Vol 47 (2) ◽  
pp. 349 ◽  
Author(s):  
JM Harrowfield ◽  
WM Lu ◽  
BW Skelton ◽  
AH White

In the course of the studies described in Parts I and II, an unusual result was observed in the case of the structure determination of hydrated gadolinium(III) picrate. Midway through data collection, the monoclinic P 21/c phase underwent a phase modification (X-ray-induced?) to a similar cell more nearly resembling that of the La → Pr structure type recorded previously, with no loss of crystal integrity, and with useful data sets being obtained on both forms. Redetermination of the structure with a fresh sample yielded no reproduction of the anomaly. These results are recorded and discussed, together with an overview of the consequences of the data of Parts I-III in relation to those of other literature in the field.


2021 ◽  
Vol 104 (17) ◽  
Author(s):  
D. Potashnikov ◽  
E. N. Caspi ◽  
A. Pesach ◽  
Q. Tao ◽  
J. Rosen ◽  
...  

1998 ◽  
Vol 53 (5) ◽  
pp. 259-264 ◽  
Author(s):  
H. Uhlig ◽  
M.-J. Hoffmann ◽  
S. Steeb

Abstract In this paper the results of X-ray diffraction experiments of Ln-Si-Al-O-N (Ln = La, Gd, Yb) glasses are presented. Total structure factors and pair correlation functions allow the determination of the first coordination sphere of Ln atoms. The bond lengths observed correspond to the ionic radii of the Ln-ions surrounded by oxygen and nitrogen atoms. The presence of non-bridging nitrogen is discussed together with results of neutron diffraction, NMR-experiments and XPS-studies of other authors.


2001 ◽  
Vol 378-381 ◽  
pp. 632-637 ◽  
Author(s):  
Yvon Laligant ◽  
Philippe Lacorre ◽  
Juan Rodríquez-Carvajal

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