The Mixed Lanthanum Dichalcogenide β-LaS1.86(1)Se0.14(1). Synthesis, Crystal Structure, Raman Spectrum and Optical Band Gap

2011 ◽  
Vol 66 (9) ◽  
pp. 873-876
Author(s):  
Christian Bartsch ◽  
Thomas Doert
Keyword(s):  
Crystal Structure ◽  
Raman Spectrum ◽  
Band Gap ◽  
Optical Spectroscopy ◽  
Optical Band Gap ◽  
Structure Type ◽  
Lattice Parameters ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Lanthanum Sulfide

The ternary lanthanum sulfide selenide β -LaS1.86(1)Se0.14(1) was obtained by reaction of the elements in an NaCl flux. The new compound adopts the β -LnS2 structure type and crystallizes in the orthorhombic space group Pnma (no. 62) with lattice parameters of a = 814.77(1), b = 1638.46(1) and c = 413.88(1) pm. Raman lines indicate the presence of mixed (S1−ySey)2− dianions with y ≈ 0.14, besides the well known S22− dianions. The band gap of β -LaS1.86(1)Se0.14(1) is 2.5 eV as determined by optical spectroscopy.

Crystal Structure of the New Compound NdFeSb3

2007 ◽  
Vol 353-358 ◽  
pp. 3043-3046 ◽  
Author(s):  
Ping Li Qin ◽  
Liang Qin Nong ◽  
Ji Liang Zhang ◽  
Hai Qing Qin ◽  
Jiang Ping Liao ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Powder Diffraction ◽  
Rietveld Method ◽  
Structure Type ◽  
Lattice Parameters ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

The crystal structure of a new compound NdFeSb3 has been determined by X-ray powder diffraction using the Rietveld method. The compound crystallizes in the orthorhombic, space group Pbcm (No.57) with the CeNiSb3 structure type and lattice parameters a=1.26828(2)nm, b=0.61666(2)nm, c=1.81867(4) nm, z=12 and Dcalc=7.917g/cm3.

scholarly journals β-Y(BO2)3 – a new member of the β-Ln(BO2)3 (Ln=Nd, Sm, Gd–Lu) structure family

2017 ◽  
Vol 72 (12) ◽  
pp. 983-988 ◽  
Author(s):  
Martin K. Schmitt ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
X Ray

Abstractβ-Y(BO2)3 was synthesized in a Walker-type multianvil module at 5.9 GPa/1000°C. The crystal structure has been elucidated through single-crystal X-ray diffraction. β-Y(BO2)3 crystallizes in the orthorhombic space group Pnma (no. 62) with the lattice parameters a=15.886(2), b=7.3860(6), and c=12.2119(9) Å. Its crystal structure will be discussed in the context of the isotypic lanthanide borates β-Ln(BO2)3 (Ln=Nd, Sm, Gd–Lu).

Zur Synthese und Kristallstruktur von Dibariumkaliumtrizinkborat Ba2KZn3(B3O6)(B6O13)/Synthesis and Crystal Structure of Di-barium Potassium Tri-zinc Borate Ba2KZn3(B3O6)(B6O13)

1996 ◽  
Vol 51 (3) ◽  
pp. 319-324 ◽  
Author(s):  
Silke Busche ◽  
Karsten Bluhm
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Structure Type ◽  
Lattice Parameters ◽  
Zinc Borate ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Unknown Structure

Abstract Single crystals of the new compound Ba2KZn3(B3O6)(B6O13) were obtained by using a B2O3 flux technique; they crystallize in an as yet unknown structure type. X-ray investigations led to the space group Ci1-P1̄ (Nr.2) with lattice parameters a = 705.2(2), b = 712.5(2), c = 1880.3(6), a = 93.43(3)°, β = 90.72(2)°, γ = 119.57(2)°, Z = 2. The structure contains (B3O6)3--rings and a new discrete (B6O13)8- anion, which is composed of two BO4 and two B2O5 units. Zn2+ is tetrahedrally coordinated by oxygen and two out of three tenfold coordinated Ba-sites are statistically occupied by Ba2+ and K+.

Strukturen und Schwingungsspektren des Tetramethylammonium -a -dodekawolframatosilikats und des Tetrabutylammonium-β-dodekawolframatosilikats / Structures and Vibrational Spectra of Tetramethylammonium a-Dodecatungstosilicate and Tetrabutylammonium β-Dodecatungstosilicate

1981 ◽  
Vol 36 (2) ◽  
pp. 161-171 ◽  
Author(s):  
Joachim Fuchs ◽  
Axel Thiele ◽  
Rosemarie Palm
Keyword(s):  
Crystal Structure ◽  
Vibrational Spectra ◽  
Lattice Parameters ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Crystal Water ◽  
Space Group ◽  
X Ray ◽  
First Time

Abstract Dodecatungstosilicates free of crystal water were prepared for the first time by using tetraalkylammonium as cation. The crystal structure of the tetramethylammonium a-dodeeatungstosilicate [N(CH3)4]4SiW12O40 (1) and tetrabutylammonium) β-dodecatungstosilicate, [N(C4H9)4]4SiWi2040 (2) were solved by X-ray diffraction. (1) crystallizes tetragonal in the space group 14̅ with lattice parameters a = 14.642 Å; c= 12.706 Å; (2) orthorhombic, space group P212121 with a = 29.277 Å, b = 22.181 Å and c = 15.381 Å. The differences between the two isomeric heteropolyanions are discussed, especially the distances and angles between the tungsten atoms. Comparison of characteristic differences in the vibrational spectra permits the identification of the isomeric anions.

Synthese und Kristallstruktur von Dibariumzink-bis(cyclotriborat) Ba2Zn(B3O6)2/Synthesis and Crystal Structure of Di-barium Zinc Bis-cyclotriborate Ba2Zn(B3O6)2

1996 ◽  
Vol 51 (3) ◽  
pp. 309-312 ◽  
Author(s):  
Silke Busche ◽  
Karsten Bluhm
Keyword(s):  
Crystal Structure ◽  
High Temperature ◽  
Single Crystals ◽  
Crystal Structures ◽  
Structure Type ◽  
Lattice Parameters ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
X Ray ◽  
Unknown Structure

Abstract Single crystals of the new compound Ba2Zn(B3O6)2 were obtained by using a B2O3 flux technique. They crystallize in an as yet unknown structure type. X-ray investigations led to space group Ci1-P1̄ (Nr.2) with lattice parameters a = 715.5(2), b = 720.5(2), c = 1178.9(4), a = 78.96(2)°, β = 85.45(2)°, γ = 60.12(1)°, Z = 2. The structure is characterized by iso­lated (B3O6)3--rings and contains two ninefold coordinated Ba-sites. Zn2+ is tetrahedrally coordinated by oxygen. The relation to the crystal structures of high-temperature BaB2O4 and Ba2Ca(B3O6)2 is discussed.

Isomere vierkernige Molybdän—Wolfram—Schwefelclusterdithiophosphinate / Isomeric Tetranuclear Molybdenum—Tungsten — Sulfurclusterdithiophosphinates

1988 ◽  
Vol 43 (12) ◽  
pp. 1541-1546 ◽  
Author(s):  
Axel Deeg ◽  
Helmut Keck ◽  
Andreas Kruse ◽  
Wilhelm Kuchen ◽  
Hartmut Wunderlich
Keyword(s):  
Crystal Structure ◽  
Magnetic Properties ◽  
Spectroscopic Data ◽  
Lattice Parameters ◽  
Orthorhombic Space Group ◽  
Bridging Ligands ◽  
Space Group ◽  
The Core ◽  
Chelating Ligand

Abstract A mixture of three isomeric clusters of composition Mo3WS4(Et2PS2)6 (3) is obtained by reacting equimolar quantities of Mo3S4(Et2PS2)4, W(CO)3(CH3CN)3 and [Et2P(S)]2S2 in toluene'. Some NMR-spectroscopic data and the magnetic properties of these isomers are reported. Isomer 3a consists of a distorted cubane Mo3WS4, each metal of which is coordinated by six S atoms: three of them belonging to the cubane, one to a bridging and two to a chelating ligand Et2PS2-. The crystal structure of isomer 3b is reported. In 3b only three of the metals in the core are coordinated in this manner while the fourth is surrounded by three S of the cubane and three S of bridging ligands. 3b crystallizes in the orthorhombic space group Pbca, Z = 8. lattice parameters a = 2184,4(8), b = 2264,4(9). c = 2388.2(8) pm. The crystal structure was refined to R = 0.05 using 5398 observed reflections. By HPLC 3b can be separated into two isomers. 3b1 and 3b2, both differing in the type of metal. Mo or W. bonded to the three bridging ligands

X-Ray Powder Diffraction Data for the Al7Cu5Y Ternary Compound

2014 ◽  
Vol 950 ◽  
pp. 53-56
Author(s):  
Bin He ◽  
Ming Qin ◽  
Liu Qing Liang ◽  
Zhao Lu ◽  
De Gui Li ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Ternary Compound ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Structure Type ◽  
The Body ◽  
Lattice Parameters ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray

Crystal structure and X-ray powder diffraction data for the Al7Cu5Y ternary compound are presented. The compound crystallizes in the body-centered tetragonal with the Al7Fe5Y structure type (space group I4/mmm), the lattice parameters a = 8.6960(9) Å, c = 5.1256(7) Å, V =387.62 Å3, Z =2, ڑx =5.102 g/cm3, F30 = 275.5(0.0033, 33) and RIR =1.23.

Neue Erdalkalimetall-reiche binäre Indide: Ca2In, Sr28In11 und Sr5In3 / New Alkaline Earth Rich Binary Indides: Ca2In, Sr28In11 und Sr5In3

2004 ◽  
Vol 59 (6) ◽  
pp. 619-628 ◽  
Author(s):  
Marco Wendorff ◽  
Caroline Röhr
Keyword(s):  
Crystal Structure ◽  
Crystal Structures ◽  
Electronic Structures ◽  
Alkaline Earth ◽  
Structure Type ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Binary Alkaline

The new binary alkaline earth rich indides Ca2In (orthorhombic, space group Pnma, a =727.5(2), b = 537.1(2), c = 999.0(3) pm, Z = 4, R1 = 0.0252, Co2Si structure type) and Sr28In11 (orthorhombic, space group Imm2, a=582.6(3), b=6687.8(9), c=823.5(6) pm, Z =2, R1=0.0571, Ca28Ga11 structure type) have been synthesized from stoichiometric melts of the elements. Both crystal structures exhibit isolated In atoms coordinated by seven to ten alkaline earth atoms. In the crystal structure of Sr5In3 (tetragonal, space group I4/mcm, a = 874.4(3), c = 1642.9(8) pm, Z = 4, R1 = 0.0347, Cr5B3 structure type) isolated In atoms coexist with In2 dumbbells exhibiting short In-In contacts (284.4 pm). The electronic structures of the less elaborate compounds Ca2In and Sr5In3 are discussed in comparison with those of the closely related, nominally electron precise Zintl compounds Ca2Sn and Sr5Sn3.

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