Rare Earth Site Preference in the Doped Laser Host Material Sc2SiO5. A Single-Crystal X-Ray Study

2012 ◽  
Vol 67 (2) ◽  
pp. 113-117 ◽  
Author(s):  
Ute Ch. Rodewald ◽  
Lihe Zheng ◽  
Birgit Heying ◽  
Xiaodong Xu ◽  
Liangbi Su ◽  
...  
Keyword(s):  
Rare Earth ◽  
Single Crystal ◽  
Diffraction Data ◽  
Host Material ◽  
Site Preference ◽  
Czochralski Technique ◽  
X Ray Diffraction ◽  
High Quality ◽  
X Ray ◽  
Oxygen Coordination

Single crystals of the laser host material Sc2SiO5 as well as thulium- (4 at.-%) and ytterbium- (5 at.-%) doped samples were prepared by the Czochralski technique. The structures of Sc2SiO5, Tm3+:Sc2SiO5, and Yb3+:Sc2SiO5 were refined on the basis of high-quality single-crystal X-ray diffraction data: monoclinic Y2SiO5 type, space group C2/c. The X-ray data unambiguously show that the larger rare earth cations exclusively occupy the 8 f site with oxygen coordination number 7.

The Solid Solution Lu2–xScxSiO5

2011 ◽  
Vol 66 (11) ◽  
pp. 1183-1187
Author(s):  
Hamdi Ben Yahia ◽  
Ute Ch. Rodewald ◽  
Birgit Heying ◽  
Sarkarainadar Balamurugan ◽  
Rainer Pöttgen
Keyword(s):  
Solid Solution ◽  
Rare Earth ◽  
Single Crystal ◽  
Diffraction Data ◽  
Strong Preference ◽  
X Ray Diffraction ◽  
X Ray ◽  
Type Space ◽  
Coordination Numbers ◽  
Oxygen Coordination

The monoclinic silicates Lu2SiO5 and Sc2SiO5 (Y2SiO5 type, space groupC2/c) forma solid solution Lu2−xScxSiO5. Samples with x = 0.5, 0.8, 1.0 were synthesized ceramically from Lu2O3, Sc2O3, and SiO2. The structures of three crystals with x = 0.88, 0.77, and 0.50 were refined on the basis of single-crystal X-ray diffraction data. The rare earth (RE) atoms occupy two crystallographically different 8ƒ sites with oxygen coordination numbers (CN) of 6 (RE2) and 7 (RE1). Refinements of the occupancy parameters showed Lu/Sc mixing for both sites with a strong preference of the smaller scandium atoms for CN6

scholarly journals Crystallographic features of ammonium fluoroelpasolites: dynamic orientational disorder in crystals of (NH4)3HfF7 and (NH4)3Ti(O2)F5

2017 ◽  
Vol 73 (1) ◽  
pp. 1-9 ◽  
Author(s):  
Anatoly A. Udovenko ◽  
Alexander A. Karabtsov ◽  
Natalia M. Laptash
Keyword(s):  
Single Crystal ◽  
Electron Density ◽  
Diffraction Data ◽  
Central Atom ◽  
X Ray Diffraction ◽  
Dynamic Nature ◽  
Orientational Disorder ◽  
High Quality ◽  
Structural Units ◽  
X Ray

A classical elpasolite-type structure is considered with respect to dynamically disordered ammonium fluoro-(oxofluoro-)metallates. Single-crystal X-ray diffraction data from high quality (NH4)3HfF7 and (NH4)3Ti(O2)F5 samples enabled the refinement of the ligand and cationic positions in the cubic Fm \bar 3 m (Z = 4) structure. Electron-density atomic profiles show that the ligand atoms are distributed in a mixed (split) position instead of 24e. One of the ammonium groups is disordered near 8c so that its central atom (N1) forms a tetrahedron with vertexes in 32f. However, a center of another group (N2) remains in the 4b site, whereas its H atoms (H2) occupy the 96k positions instead of 24e and, together with the H3 atom in the 32f position, they form eight spatial orientations of the ammonium group. It is a common feature of all ammonium fluoroelpasolites with orientational disorder of structural units of a dynamic nature.

scholarly journals Redetermination of Sr2PdO3 from single-crystal X-ray data

2019 ◽  
Vol 75 (1) ◽  
pp. 30-32
Author(s):  
Gohil S. Thakur ◽  
Hans Reuter ◽  
Claudia Felser ◽  
Martin Jansen
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Data ◽  
Structure Refinement ◽  
Structure Type ◽  
X Ray Diffraction ◽  
High Quality ◽  
X Ray ◽  
Cell Parameters ◽  
Anisotropic Displacement Parameters

The crystal structure redetermination of Sr2PdO3 (distrontium palladium trioxide) was carried out using high-quality single-crystal X-ray data. The Sr2PdO3 structure has been described previously in at least three reports [Wasel-Nielen & Hoppe (1970). Z. Anorg. Allg. Chem. 375, 209–213; Muller & Roy (1971). Adv. Chem. Ser. 98, 28–38; Nagata et al. (2002). J. Alloys Compd. 346, 50–56], all based on powder X-ray diffraction data. The current structure refinement of Sr2PdO3, as compared to previous powder data refinements, leads to more precise cell parameters and fractional coordinates, together with anisotropic displacement parameters for all sites. The compound is confirmed to have the orthorhombic Sr2CuO3 structure type (space group Immm) as reported previously. The structure consists of infinite chains of corner-sharing PdO4 plaquettes interspersed by SrII atoms. A brief comparison of Sr2PdO3 with the related K2NiF4 structure type is given.

ChemInform Abstract: Rare Earth Site Preference in the Doped Laser Host Material Sc2SiO5. A Single Crystal X-Ray Study.

ChemInform ◽  
2012 ◽  
Vol 43 (25) ◽  
pp. no-no
Author(s):  
Ute Ch. Rodewald ◽  
Lihe Zheng ◽  
Birgit Heying ◽  
Xiaodong Xu ◽  
Liangbi Su ◽  
...  
Keyword(s):  
Rare Earth ◽  
Single Crystal ◽  
Host Material ◽  
Site Preference ◽  
X Ray

Identification and proportion of the enantiomers of the antihypertensive drug chlortalidone in its Form II by high quality single-crystal X-ray diffraction data

2016 ◽  
Vol 118 ◽  
pp. 101-104 ◽  
Author(s):  
Leandro M. Santos ◽  
Olimpia M.M. Santos ◽  
Paula Freire Mendes ◽  
Iara Maria Landre Rosa ◽  
Cameron Capeletti da Silva ◽  
...  
Keyword(s):  
Single Crystal ◽  
Antihypertensive Drug ◽  
Diffraction Data ◽  
X Ray Diffraction ◽  
High Quality ◽  
X Ray ◽  
High Quality Single Crystal

RE2B8O15 (RE = La, Pr, Nd) – syntheses of three new rare earth borates isotypic to Ce2B8O15

2016 ◽  
Vol 71 (5) ◽  
pp. 535-542 ◽  
Author(s):  
Matthias Glätzle ◽  
Gregor J. Hoerder ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
Rare Earth ◽  
Single Crystal ◽  
Infrared Spectra ◽  
Diffraction Data ◽  
Boron Oxide ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
New Compounds

AbstractThe rare earth borates RE2B8O15 (RE = La, Pr, Nd) were synthesized in a Walker-type multianvil apparatus under conditions of 5.5 GPa and 1100 °C. Starting from the corresponding rare earth oxides and boron oxide, the syntheses yielded crystalline products of all new compounds that allowed crystal structure analyses based on single-crystal X-ray diffraction data for La2B8O15 and Nd2B8O15. The compound Pr2B8O15 could be characterized via X-ray powder diffractometry. The results show that the new compounds crystallize isotypically to Ce2B8O15 in the monoclinic space group P2/c. The infrared spectra of RE2B8O15 (RE = La, Pr, Nd) have also been studied.

SrPdGa3 type gallides RERhGa3 with RE=La, Ce and Pr

2020 ◽  
Vol 235 (3) ◽  
pp. 53-57
Author(s):  
Stefan Seidel ◽  
Rainer Pöttgen
Keyword(s):  
Rare Earth ◽  
Single Crystal ◽  
Diffraction Data ◽  
Three Dimensional ◽  
Subsequent Annealing ◽  
Crystal Chemical ◽  
X Ray Diffraction ◽  
Muffle Furnace ◽  
X Ray ◽  
Arc Melting

AbstractThe ternary rare earth gallides RERhGa3 with RE = La, Ce and Pr were synthesized by arc-melting and subsequent annealing in a muffle furnace. The gallides were characterized through Guinier powder patterns and the structure of LaRhGa3 was refined from single-crystal X-ray diffraction data: SrPdGa3 type, Cmcm, a = 639.2(2), b = 1030.9(2), c = 589.3(2) pm, wR2 = 0.0964, 416 F2 values and 19 variables. The rhodium and gallium atoms build up a three-dimensional polyanionic network [RhGa3] which is stabilized through Rh–Ga (245–251 pm) and Ga–Ga (267–295 pm) bonds and filled by the lanthanum atoms. The crystal chemical relationship with the structures of LaRh2Ge2 (ThCr2Si2 type), LaRh2Ga2 (CaBe2Ge2 type) and LaRhGe3 (BaNiSn3 type) is discussed.

RE3Au5Zn (RE = Y, Sm, Gd–Ho) – A new structure type with five- and six-membered rings as building units in a gold network

2016 ◽  
Vol 71 (5) ◽  
pp. 411-417 ◽  
Author(s):  
Birgit Gerke ◽  
Rainer Pöttgen
Keyword(s):  
Rare Earth ◽  
Rare Earth Elements ◽  
Single Crystal ◽  
Intermetallic Compounds ◽  
Diffraction Data ◽  
Structure Type ◽  
X Ray Diffraction ◽  
Single Crystal Diffraction ◽  
X Ray ◽  
The Rare Earth

AbstractRE3Au5Zn (RE = Y, Sm, Gd–Ho) intermetallic compounds were synthesized by melting the elements in sealed tantalum tubes. They exhibit a new structure type which was studied by X-ray diffraction on powders and refined from single crystal diffraction data: Cmcm, a = 736.9(2), b = 1489.4(2), c = 1330.4(3) pm, wR2 = 0.0371, 1184 F2 values and 55 variables for Y3Au4.92Zn1.08 and a = 739.0(1), b = 1495.8(2), c = 1339.2(2) pm, wR2 = 0.0325, 1410 F2 values and 54 variables for Tb3Au5Zn. The network consists of five- and six-membered gold rings in puckered conformations. Atoms of the rare earth elements are placed within the cavities of this network where every third cavity is filled by a Zn2 dumbbell. The structure is discussed in detail and compared with the gold substructure of Hf7Au10.

Rare Earth Site Preference in the Doped Laser Host Material Sc2SiO5. A Single-Crystal X-Ray Study

2012 ◽  
Vol 67 ◽  
pp. 0113 ◽  
Author(s):  
U. C. Rodewald ◽  
L. Zheng ◽  
B. Heying ◽  
X. Xu ◽  
L. Su ◽  
...  
Keyword(s):  
Rare Earth ◽  
Single Crystal ◽  
Host Material ◽  
Site Preference ◽  
X Ray

Single-crystal investigation of Ce5AgxGe4−x (x = 0.1−1.08) with Sm5Ge4 type

2020 ◽  
Vol 75 (8) ◽  
pp. 765-768
Author(s):  
Bohdana Belan ◽  
Dorota Kowalska ◽  
Mariya Dzevenko ◽  
Mykola Manyako ◽  
Roman Gladyshevskii
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Data ◽  
Binary Compound ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray

AbstractThe crystal structure of the phase Ce5AgxGe4−x (x = 0.1−1.08) has been determined using single-crystal X-ray diffraction data for Ce5Ag0.1Ge3.9. This phase is isotypic with Sm5Ge4: space group Pnma (No. 62), Pearson code oP36, Z = 4, a = 7.9632(2), b = 15.2693(5), c = 8.0803(2) Å; R1 = 0.0261, wR2 = 0.0460, 1428 F2 values and 48 variables. The two crystallographic positions 8d and 4c show Ge/Ag mixing, leading to a slight increase in the lattice parameters as compared to those of the pure binary compound Ce5Ge4.

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