Crystal structure redetermination of the octahedro-hexatantalum(2.5+) pentadecahalides, Ta6Cl15 and Ta6Br15

Schnering, H. G. Von; Vu, Dong; Jin, Shengye; Peters, Karl

doi:10.1515/ncrs-1999-0110

Cited by 7 publications

(3 citation statements)

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“…The packing of the molecules is dominated by a threedimensional network of hydrogen bonds involving coordinated water molecules and OH Ϫ groups, crystal water molecules and Cl Ϫ (or Br Ϫ ) as counter ions ( Fig. The [24]; G) Compound 1 (this work); H) Compound 3 (this work). These values are also close to 2.537(7) Å or 2.540(11) Å and 2.594(10) Å observed in trans-[Ta 6 -Cl 12 (OH) 4 Ϫ bridging ligands in 1 and 3 are the first observed in the chemistry of Nb 6 and Ta 6 bromo cluster hydroxides.…”

Section: (H 2 O) 2 ] Entity Of 1 and 3 With [Ta 6 Br 12 ] 4ϩmentioning

confidence: 92%

The Cocrystallization of the Cubic [Ta6Br12(H2O)6][CuBr2X2]·10H2O and Triclinic [Ta6Br12(H2O)6]X2·trans-[Ta6Br12(OH)4(H2O)2]·18H2O (X = Cl, Br, NO3) Phases with the Coexistence of [Ta6Br12]2+ and [Ta6Br12]4+ in the Latter

Vojnović

Brničević

Bašic

et al. 2002

Z. anorg. allg. Chem.

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Cubic [Ta 6 Br 12 (H 2 O) 6 ][CuBr 2 X 2 ]·10H 2 O and triclinic [Ta 6 Br 12 (H 2 O) 6 ]X 2 ·trans-[Ta 6 Br 12 (OH) 4 (H 2 O) 2 ]·18H 2 O (X ϭ Cl, Br, NO 3 ) cocrystallize in aqueous solutions of [Ta 6 Br 12 ] 2ϩ in the presence of Cu 2ϩ ions. The crystal structures of [Ta 6 Br 12 (H 2 O) 6 ]Cl 2 ·trans-[Ta 6 Br 12 (OH) 4 (H 2 O) 2 ]·18H 2 O (1) and [Ta 6 Br 12 (H 2 O) 6 ]Br 2 ·trans-[Ta 6 Br 12 (OH) 4 (H 2 O) 2 ]·18H 2 O (3) have been solved in the triclinic space group P 1 (No. 2). Crystal data: 1, a ϭ 9.3264(2) Å , b ϭ 9.8272(2) Å , c ϭ 19.0158(4) Å , Ͱ ϭ 80.931(1)°, β ϭ 81.772(2)°, γ ϭ 80.691(1)°; 3, a ϭ 9.3399(2) Å , b ϭ 9.8796(2) Å , c ϭ 19.0494(4) Å ; Ͱ ϭ 81.037(1)°, β ϭ 81.808(1)°, γ ϭ 80.736 (1)°. 1 and 3 consist of two octahedral differently charged cluster entities, [Ta 6 Br 12 ] 2ϩ in the [Ta 6 Br 12 (H 2 O) 6 ] 2ϩ cation and [Ta 6 Br 12 ] 4ϩ in trans-[Ta 6 Br 12 (OH) 4 (H 2 O) 2 ]. Average bond distances

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Section: (H 2 O) 2 ] Entity Of 1 and 3 With [Ta 6 Br 12 ] 4ϩmentioning

confidence: 92%

The Cocrystallization of the Cubic [Ta6Br12(H2O)6][CuBr2X2]·10H2O and Triclinic [Ta6Br12(H2O)6]X2·trans-[Ta6Br12(OH)4(H2O)2]·18H2O (X = Cl, Br, NO3) Phases with the Coexistence of [Ta6Br12]2+ and [Ta6Br12]4+ in the Latter

Vojnović

Brničević

Bašic

et al. 2002

Z. anorg. allg. Chem.

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“…For the nitride-chloride system only the reduced and dark red compound Zr 6 NCl 15 [102] is known, which crystallizes in the Ta 6 Cl 15 structure type (cubic, Ia 3 3d, Z ¼ 16) [103,104] and consists of Zr 6 Cl 12 N clusters. These cluster are interconnected to six neighbouring ones via shared chloride anions.…”

Section: Further Nitride Halides Of the Group IV Metalsmentioning

confidence: 99%

Superconducting nitride halides MNX (M = Ti, Zr, Hf; X = Cl, Br, I)

Schurz

Shlyk

Schleid

et al. 2011

Zeitschrift Für Kristallographie

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Abstract. Two different polymorphs of the metal nitride halides MNX (M ¼ Ti, Zr, Hf; X ¼ Cl, Br, I) are known to crystallize in layered structures. The two crystal structures differ in the way 2 1 {X[M 2 N 2 ]X} slabs are stacked along the c-axes. Metal atoms and/or organic molecules can be intercalated into the van-der-Waals gap between these layers. After such an electron-doping via intercalation the prototypic band insulators change into superconductors with moderate high critical temperatures T c up to 25.5 K. This review gathers information on synthesis routes, structural characteristics and properties of the prototypic nitride halides and the derivatives after electron-doping with a focus on superconductivity.

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“…[33] Ta6I15 was also reported in 1968 to crystallize in a cubic unit cell with a = 11.02 Å and then was supposed to be isotypic to Nb6F15 [64]. While the crystal structure of Ta6Br15 was confirmed in 1999 by von Schnering et al [47], that of Ta6I15 is yet unsolved but is probably isotypic to Ta6Cl15.…”

Section: Ta6cl15-typementioning

confidence: 93%

Inorganic Niobium and Tantalum Octahedral Cluster Halide Compounds with Three-Dimensional Frameworks: A Review on Their Crystallographic and Electronic Structures

Lemoine

Halet

Cordier

2019

Structure and Bonding

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This review summarizes the development of the rich crystal and bonding chemistry of facecapped and edge-bridged inorganic niobium and tantalum octahedral cluster halide compounds, with a particular emphasis on those showing three-dimensional cluster frameworks. Discussion is made on varied structures and bonding which are intimately linked to the valence electron concentration, i.e., the number of electrons that held the octahedral metal cluster architecture. Exploration of the literature indicates that apart from Nb6I11 and derivatives, which show electron-deficient face-capped M6X i 8X a 6 units, compounds containing edge-bridged M6X i 12X a 6 motifs are the most largely encountered. Closed-shell compounds with a valence electron concentration of 16 are predominant, although a few 15-electron open-shell magnetic compounds or even 14-electron closed-shell species have also been reported. Particularly interesting from a structural point of view is the fashion in which these facecapped and edge-bridged clusters "pack" in crystals. The astonishing diversity of structural types, which are observed, is mainly due to the flexibility of the halogen ligands to coordinate in various manners to metal atoms. However, a rigorous structural analysis of these compounds reveals no close relationship between the valence electron concentration and the variability of the intercluster connections and/or the nature of the counter-ions. Indeed, the main bonding features of these compounds can be understood from the delocalized bonding picture of isolated 'molecular-like' M6X i 8X a 6 or M6X i 12X a 6 clusters. Keywords Crystal structure  Electronic effect  Electronic structure  Halide  Inorganic compound  Interatomic distance  Intercluster distance  Ligand  Matrix effect  Metal-metal bond  Niobium  Octahedral cluster  Structure type  Tantalum  Three-dimensional framework  Valence electron concentration Contents 5 Cluster Frameworks of Structural Formula [M6X i 12X a-a 6/2] 5.1 Cluster Compounds with Linear M-X a-aM Bridges 5.2 Cluster Compounds with Bent M-X a-aM Bridges in Cubic Structure 5.3 Cluster Compounds with Bent M-X a-aM Bridges in Trigonal Structure 5.4 Cluster Compounds with Both Linear and Bent M-X a-aM Bridges 6 Interatomic Distances in Inorganic Nb6 and Ta6 Cluster Halide Compounds with Threedimensional Frameworks 6.1 Cluster Units Based on Face-capped M6X i 8X a 6 Building Blocks 6.2 Cluster Units Based on Edge-bridged M6X i 12X a 6 Building Blocks 7 Structural Relationships Between Crystal Structures Based on Hexagonal, Cubic and Trigonal Symmetry 8 Electronic Structure of Niobium and Tantalum Octahedral Cluster Halide Compounds 8.1 Variable VEC of Nb6I11 and Derivatives 8.2 Electronic Structure of Edge-bridged M6X i 12X a 6 Clusters 9 Summary References

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Crystal structure redetermination of the octahedro-hexatantalum(2.5+) pentadecahalides, Ta6Cl15 and Ta6Br15

Cited by 7 publications

References 1 publication

The Cocrystallization of the Cubic [Ta6Br12(H2O)6][CuBr2X2]·10H2O and Triclinic [Ta6Br12(H2O)6]X2·trans-[Ta6Br12(OH)4(H2O)2]·18H2O (X = Cl, Br, NO3) Phases with the Coexistence of [Ta6Br12]2+ and [Ta6Br12]4+ in the Latter

The Cocrystallization of the Cubic [Ta6Br12(H2O)6][CuBr2X2]·10H2O and Triclinic [Ta6Br12(H2O)6]X2·trans-[Ta6Br12(OH)4(H2O)2]·18H2O (X = Cl, Br, NO3) Phases with the Coexistence of [Ta6Br12]2+ and [Ta6Br12]4+ in the Latter

Superconducting nitride halides MNX (M = Ti, Zr, Hf; X = Cl, Br, I)

Inorganic Niobium and Tantalum Octahedral Cluster Halide Compounds with Three-Dimensional Frameworks: A Review on Their Crystallographic and Electronic Structures

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