12166-47-1Relevant articles and documents
Zr7(Sb,Se)4 - A polar variant of the Nb7P4 structure type
Kleinke,Harbrecht
, p. 1873 - 1877 (1999)
Single crystals of Zr7Sb1.6(1)Se2,4 were obtained by arc-melting of compressed mixtures of Zr, ZrSb2, and ZrSe2, followed by annealing at 1300 °C in an induction furnace using traces of iodine to promote crystal growth. The crystal structure (a = 375.98(4), b = 1662.6(2), c = 1476.7(2) pm, V = 923.1(2) 106 pm3, Cmc21,, Z = 4) was determined by single crystal X-ray means. Zr7Sb1.69(1)Se2.4 forms a unique polar structure composed of condensed tri-capped trigonal prismatic Zr9 clusters, being stabilized by interstitial Sb/Se atoms. The remaining Sb and Se atoms reside in mono- and bi-capped trigonal prismatic Zr7 and Zr8 clusters, respectively, of the extended cluster network. Characteristic structural distinctions and relations between Zr7(Sb1Se)4 and congeneric Zr7P4 are highlighted.
Crystal Structure and Electronic Properties of New Compound Zr6.5Pt6Se19
Chan, Julia Y.,Li, Sheng,Lv, Bing,McCandless, Gregory T.,Petit, Daniel Peirano,Sorolla, Maurice,Wu, Hanlin,Zhai, Huifei
, (2020)
A new ternary nonstoichiometric Zr6.5Pt6Se19 has been discovered as a part of effort to dope Zr into the layered transitional metal chalcogenide PtSe2. With a new structure type (oC68), it is the first Pt-based ternary chalcogenide with group 4 elements (Ti, Zr, and Hf). The crystal structure adopts the orthorhombic space group Cmmm with lattice parameters of a = 15.637(6) ?, b = 26.541(10) ?, c = 3.6581(12) ?, and V = 1518.2(9) ?3. This unusual structure consists of several building units: Chains of edge-sharing selenium trigonal prisms and octahedra centered by zirconium atoms, chains of corner-shared square pyramid, and square planar centered by Pt atoms. The condensation of these building blocks forms a unique structure with bilayered Zr5.54Pt6Se19 slabs stacking along the b direction and large channels parallel to the c direction within the bilayered slabs. Band structure calculations suggest that partial occupancy of Zr atoms creates a pseudo gap at the Fermi level and is likely the main cause for the stability of this new phase.
Layered Sodium Titanium Trichalcogenide Na2TiCh3Framework (Ch = S, Se): A Rich Crystal and Electrochemical Chemistry
Leube, Bernhard T.,Salager, Elodie,Chesneau, Erwan,Rousse, Gwena?lle,Vezin, Hervé,Abakumov, Artem M.,Tarascon, Jean-Marie
, p. 2382 - 2392 (2022/03/14)
The synthesis and characterization of novel alkaline-rich transition-metal chalcogenides is an intriguing task for solid-state chemists and battery researchers. This class of materials allures by its rich compositional variety, high theoretical capacities, and sometimes surprising electrochemistry. Using electrochemically inactive O3-type Li2TiS3as a starting point, we embark on the synthesis and electrochemical characterization of five novel chalcogenides: Na2TiS3, Na2TiSe3, Na2ZrS3, Na2ZrSe3, and finally Na1.5[Li0.5Ti]S3. All compounds crystallize in the layered O3 structure type but show different electrochemical activities. In particular, Na2TiS3proves to be an interesting cathode material: the exchange of Li for Na unlocks electrochemical activity and allows for sustained electrochemical cycling of up to 1.8 Na per formula unit. We elucidate the structural evolution of the NaxTiS3framework during cycling and find a reversible structural transformation from O3 to O1 stacking of the TiS3octahedral layers. These findings could help understand the origin of anionic redox activity in the materials based on d0transition metals while opening another direction toward cathode materials comprising solely abundant elements.
