37488-75-8Relevant articles and documents
Synthesis, crystal structure and properties of K2Ta 2S10: A novel ternary tantalum polysulfide with TaS 8 polyhedra forming infinite anionic chains
Wu, Yuandong,Naether, Christian,Bensch, Wolfgang
, p. 1569 - 1574 (2005)
The new ternary alkali tantalum polysulfide K2Ta 2S10 has been synthesized by reacting TaS2 with an in situ formed melt of K2S3 and S at 773 K. The compound crystallizes with four formula units in the monoclinic space group P21/n (No. 14) with lattice parameters of a=14.9989(13)A,b=6. 4183(4)A,c=15.1365(13)A,β=117.629(9)°. The structure contains two different zigzag chain anions [TaS5]-, running parallel to the crystallographic b-axis separated by potassium cations. The two crystallographically independent tantalum atoms are in a distorted bi-capped trigonal prismatic environment of eight sulfur atoms which was never observed before. The TaS8 polyhedra share three S atoms on each side to form the anionic chains. The compound was characterized with FIR and Raman spectroscopy.
Syntheses and structures of six compounds in the A2LiMS 4 (A = K, Rb, Cs; M = V, Nb, Ta) family
Huang, Fu Qiang,Deng, Bin,Ibers, James A.
, p. 194 - 199 (2005)
Six new compounds in the A2LiMS4 (A = K, Rb, Cs; M = V, Nb, Ta) family, namely K2LiVS4, Rb2LiVS 4, Cs2LiVS4, Rb2LiNbS4, Cs2LiNbS4, and Rb2LiTaS4, have been synthesized by the reactions of the elements in Li2S/S/A 2S3 (A = K, Rb, Cs) fluxes at 773 K. The A and M atoms play a role in the coordination environment of the Li atoms, leading to different crystal structures. Coordination numbers of Li atoms are five in K2LiVS4, four in A2LiVS4 (A = Rb, Cs) and Cs2LiNbS4, and both four and five in Rb 2LiMS4 (M = Nb, Ta). The A2LiVS4 (A = Rb, Cs) structure comprises one-dimensional chains of ∞ 1[LiVS4] tetrahedra. The Rb2LiMS4 (M = Nb, Ta) structure is composed of two-dimensional ∞ 2[LiMS4] layers. The Cs2LiNbS4 structure contains one-dimensional ∞1[LiNbS 4] chains that are related to the Rb2LiMS4 layers. The K2LiVS4 structure contains a different kind of ∞1[LiVS4] layer.
Wide band gap design of new chalcogenide compounds: KSrPS4 and CsBaAsS4
Jiang, Jianqiao,Mei, Dajiang,Gong, Pifu,Lin, Zheshuai,Zhong, Junbo,Wu, Yuandong
, p. 38044 - 38051 (2017)
Recently, the exploration of infrared nonlinear optical (IR NLO) materials has mainly focused on chalcogenide compounds. However, their practical applications are often hampered by the low laser damage thresholds (LDTs). It is known that wide band gaps ca
Synthesis and modulated crystal structure of KBaNbS4
Wu, Yuandong,Doert, Thomas,Bensch, Wolfgang
, p. 3019 - 3024 (2005)
Single crystals of KBaNbS4 have been prepared by the reaction of Nb with an in situ formed melt of K2S3, BaS, and S at 500°C. Satellite reflections observed in X-ray diffraction experiments of these crystals indicate the presence of a one-dimensional lattice distortion. The modulated structure has been solved and refined from X-ray data using the superspace group approach. KBaNbS4 can be described in the (3 + 1)-dimensional superspace group Pnma(α00)0s0 with lattice parameters a = 9.187(1), b = 7.001(1), and c = 12.494(1)A and a modulation vector q = (0, 0.629(1), 0). In the structure the NbS4 tetrahedra are stacked along the a axis and show a slight tilting against each other. The K+ and Ba2+ ions follow this tilting, both are slightly shifted from their positions in the average structure. The modulation does not lead to a significant change in the coordination spheres of the metal atoms. The small effects of the modulation correspond to the relatively weak intensities of the satellite reflections. Results of temperature dependent X-ray investigations indicate that K+ librates at higher temperatures and the surrounding S2- anions follow this motion. With decreasing temperature the libration of K+ is reduced and the coordination geometry freezes under formation of an incommensurate modulation. The heavier Ba and Nb atoms are also affected by positional modulation of the substructure and accommodate to their environment.
Syntheses, crystal structures, and optical properties of K3V0.32Ta0.68S4, K6Nb1.07Ta2.93S22, K6Nb2.97Ta1.03S25, K3Cu3Nb0.98Ta1.02S8, and KCu2Nb0.53Ta0.47S4
Wu, Yuandong,Bensch, Wolfgang
, p. 2166 - 2174 (2007)
The new compounds K3V0.32Ta0.68S4 (1), K6Nb1.07Ta2.93S22 (2), K6Nb2.97Ta1.03S25 (3), K3Cu3Nb0.98Ta1.02S8 (4), and KCu2Nb0.53Ta0.47S4 (5) have been synthesized by the reactive flux method. Their crystal structures were determined by single crystal X-ray diffraction. Crystal data: 1: space group Pnma, a=9.2354(7), b=10.6920(6), c=9.2991(5) A, Z=4; 2: space group P21/c, a=7.6412(4), b=8.7572(5), c=24.5772(14) A, β=98.559(6)°, Z=2; 3: space group P21/n, a=15.7147(10), b=12.9840(9), c=18.2363(12) A, β=104.123(8)°, Z=4; 4: space group C2/c, a=23.5934(19), b=5.5661(2), c=14.2373(12) A, β=120.631(9)°, Z=4; 5: space group Ama2, a=7.4615(4), b=18.2902(16), c=5.5320(6) A, Z=4. The structure of compound 1 is based on discrete tetrahedral MS4 (M=V/Ta) anions, which are separated by K+ cations. The structure of 2 consists of K+ cations and [M4S22]6- (M=Nb/Ta) anions, in which two M2S11 building blocks are linked via terminal sulfur ligands. In 3 the complex anion [M4S25]6- (M=Nb/Ta) is observed which comprises two M2S11 subunits bridged by a S3 chain. In 4 1∞[Cu3M2S8]3- (M=Nb/Ta) anionic chains are found which are formed by corner sharing of CuS4 tetrahedra and edge sharing between CuS4 and MS4 tetrahedra. The structure of 5 consists of [Cu2MS4]- (M=Nb/Ta) anionic layers separated by K+ cations. The CuS4 and MS4 tetrahedra share edges and corners yielding layers. All compounds were characterized with Raman spectroscopy and the compound 2-5 with UV/vis diffuse reflectance spectroscopy.
KBiMS4 (M=Si, Ge): Synthesis, structure, and electronic structure
Mei, Dajiang,Lin, Zheshuai,Bai, Lei,Yao, Jiyong,Fu, Peizhen,Wu, Yicheng
, p. 1640 - 1644 (2010)
Two new bismuth sulfides KBiSiS4 and KBiGeS4 have been synthesized by means of the reactive flux method. They adopt the RbBiSiS4 structure type and crystallize in space group P21/c of the monoclinic system. The structure consists of 2∞[Bi M S4-] (M=Si, Ge) layers separated by bicapped trigonal-prismatically coordinated K atoms. The M atom is tetrahedrally coordinated to four S atoms and the Bi atom is coordinated to a distorted monocapped trigonal prism of seven S atoms. The optical band gap of 2.25(2) eV for KBiSiS4 was deduced from the diffuse reflectance spectrum. From a band structure calculation, the optical absorption for KBiSiS4 originates from the 2∞[BiSiS4-] layer. The Si 3p orbitals, Bi 6p orbitals, and S 3p orbitals are highly hybridized near the Fermi level. The orbitals of K have no contributions on both the upper of valence band and the bottom of conduction band.
K4VP2S9
Gutzmann, Andreas,Naether, Christian,Bensch, Wolfgang
, p. i11-i13 (2004)
The new quaternary group V thiophosphate K4VP2S 9 (tetrapotassium vanadium diphosphorus nonasulfide) was prepared by reacting a mixture of K2S3, VP, P4S 3 and S. The crystal structure consists of discrete [VS(PS 4)2]4- anions and K+ cations. The V4+ cation is in a fivefold coordination of S atoms which form a square-pyramidal environment. Each VS5 group shares a common edge with two bidentate [PS4] tetrahedra, yielding the complete anion. The anions are stacked in the direction of the crystallographic b axis and are separated by the K+ ions.
Syntheses, crystal structures and spectroscopic properties of Ag2Nb[P2S6][S2] and KAg2[PS4]
Wu, Yuandong,Bensch, Wolfgang
, p. 471 - 478 (2009)
Ag2Nb[P2S6][S2] (1) was obtained from the direct solid state reaction of Ag, Nb, P2S5 and S at 500 °C. KAg2[PS4] (2) was prepared from the reaction of K2Ss
New layered quaternary tantalum thiophosphates containing binuclear [Ta2S10] units: Synthesis and crystal structures of the two new compounds K0.42TaPS5 and Rb 0.42TaPS5
Gutzmann, Andreas,Naether, Christian,Bensch, Wolfgang
, p. 524 - 529 (2005)
The reactions of Ta with an in situ formed polythiophosphate melt of A 2S3 (A = K, Rb), P2S5, and S at 500°C yield the two new quaternary tantalum thiophosphates A 0.42(2)TaPS5 (A = K (I) a
Synthesis and crystal structure of new ternary chalcogenides of group IV metals: K2ZrS4, Rb2ZrS4, and Rb2HfS4
Rumpf,Bensch
, p. 695 - 698 (2000)
The new ternary one-dimensional chain compounds K2ZrS4, Rb2ZrS4 and Rb2HfS4 were prepared at 350 °C by reacting A2S3 and S with elemental M (A = K, Rb; M = Zr, Hf). They are isostructural, crystallizing in the orthorhombic space group Pbca with Z = 8. The M atoms are in a distorted octahedral environment of four S2- anions and one S22- unit. The structure consists of infinite anionic chains comprised of edge-sharing MS6 octahedra running parallel to the [001] direction separated by the alkali metal cations. The composition of the chain may be formulated as 1∞[MS4/2(S2)2-]. The two crystallographically independent alkali cations are in eight-and ninefold coordination of S atoms.
