31052-46-7Relevant articles and documents
[Fe24Se26]: A Host-Guest Compound with Unique Fe-Se Topology
Valldor, Martin,B?hme, Bodo,Prots, Yurii,Borrmann, Horst,Adler, Peter,Schnelle, Walter,Watier, Yves,Kuo, Chang Yang,Pi, Tun-Wen,Hu, Zhiwei,Felser, Claudia,Tjeng, Liu Hao
, p. 4626 - 4631 (2016)
The novel host-guest compound [Cs6Cl][Fe24Se26] (I4/mmm; a=11.0991(9), c=22.143(2) ?) was obtained by reacting Cs2Se, CsCl, Fe, and Se in closed ampoules. This is the first member of a family of compounds with unique Fe-Se topology, which consists of edge-sharing, extended fused cubane [Fe8Se6Se8/3] blocks that host a guest complex ion, [Cs6Cl]5+. Thus Fe is tetrahedrally coordinated and divalent with strong exchange couplings, which results in an ordered antiferromagnetic state below TN=221 K. At low temperatures, a distribution of hyperfine fields in the M?ssbauer spectra suggests a structural distortion or a complex spin structure. With its strong Fe-Se covalency, the compound is close to electronic itinerancy and is, therefore, prone to exhibit tunable properties.
Polychalcogenoaurates(I) with pseudo-onedimensional structures: Preparation and crystal structure of Cs2Au2Se3
Klepp,Weithaler
, p. 101 - 110 (1998)
Cs2Au2Se3 was obtained as red platelike crystals by reacting a stoichiometric mixture of Cs2Se, Au and Se at 670K. It crystallizes in space group C2/c, Z = 4 with a = 9.769(5) A, b = 13.44(1) A, c = 7.178(3) A, β = 90.69(1)°. The crystal structure was determined from single crystal data and refined to a conventional R of 0.042 for 674 Fo's and 34 variables. The characteristic structural feature of this new selenoaurate is the formation of infinite helical anionic chains, ∞1-[AuSeAuSe2]2- which run parallel to [001] and are separated by the alkali cations. The average Au-Se bond length is 2.402 A, the bond length in the Sea-unit is 2.436 A. Au...Au contacts of 3.200 A are formed within the anionic chains. The cesium atoms are coordinated to seven Se in an irregular configuration. Elsevier,.
Boettcher, P.
, p. 271 - 278 (1980)
The one-dimensional polyselenide compound CsGaSe3
Do, Junghwan,Kanatzidis, Mercouri G.
, p. 621 - 624 (2003)
A new one-dimensional phase, CsGaSe3 has been synthesized and characterized by single crystal X-ray diffraction, differential thermal analysis, and single crystal UV/Vis spectroscopy. The structure contains infinite chain anions, [GaSe(Se2)]- separated by Cs cations. The Ga3+ cation is in a distorted tetrahedral environment coordinated by each two Se2- and Se22- ions. The red crystals of CsGaSe3 absorb visible light at energies above 2.25 eV. Differential thermal analysis revealed that the compound does not melt below 1000°C. Crystal data: CsGaSe3, monoclinic, space group P21/c (No 14), a=7.727(1), b=13.014(3), c=6.705(1), β=106.39(3)°, Z=4, R1=0.0469.
Vast Structural and Polymorphic Varieties of Semiconductors AMM′Q4(A = K, Rb, Cs, Tl; M = Ga, In; M′ = Ge, Sn; Q = S, Se)
Friedrich, Daniel,Hao, Shiqiang,Patel, Shane,Wolverton, Chris,Kanatzidis, Mercouri G.
, p. 6572 - 6583 (2021/08/30)
Nine new chalcogenide semiconductors AInM′Q4 (A+ = K+, Rb+, Cs+, Tl+ M′4+ = Ge4+, Sn4+ Q2- = S2-, Se2-) have been prepared by solid-state syntheses and structurally characterized by single-crystal X-ray diffraction techniques. These new phases fill in the missing links in these quaternary systems and crystallize in various two-dimensional layered polymorphs, while combinations containing large M3+ and M′4+ cations also adopt an extended three-dimensional (3D) network structure. The AMM′Q4 materials exhibit a wide range of band gaps with colored selenides (1.8 eV Eg 2.3 eV) and mostly white sulfides (2.5 eV Eg 3.6 eV). These phases have direct band gaps except for the thallium analogues and the cubic AGaSnSe4-cP84. First-principles theoretical calculations of the electronic band structures reveal critical insight into the structure/property relationships of these materials. The distinct polymorphism of these quaternary phases is studied by discussing kinetic and thermodynamic factors responsible for the crystallization, structural considerations, and complementary density functional theory (DFT) calculations.