Nb2Se2I6: Eine neue Strukturvariante bei Niobchalkogenidhalogeniden mit Kettenstruktur

Schmidt, Peter J.; Thiele, G.

doi:10.1002/(sici)1521-3749(199907)625:7<1056::aid-zaac1056>3.0.co;2-h

Cited by 9 publications

(6 citation statements)

References 3 publications

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“…49 and range from 2.7459(10) to 2.9428(9) Å for Nb 2 Se 2 I 6 . 50 In these two compounds, all I ions are directly bonded to Nb. On the contrary, the closest Nb−I distance is 4.839(2) Å for (NbSe 4 ) 3 I, 23 Powder XRD was carried out to verify the refined crystal structure and the phase purity of the crystals.…”

Section: ■ Methodsmentioning

confidence: 99%

Quasi-One-Dimensional Transition-Metal Chalcogenide Semiconductor (Nb₄Se₁₅I₂)I₂

Riedel

Sánchez-Ramírez

et al. 2023

Inorg. Chem.

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The discovery of new low-dimensional transition-metal chalcogenides is contributing to the already prosperous family of these materials. In this study, needleshaped single crystals of a quasi-one-dimensional (1D) material, (Nb 4 Se 15 I 2 )I 2 , were grown by chemical vapor transport, and the structure was solved by single-crystal X-ray diffraction (XRD). The structure has 1D (Nb 4 Se 15 I 2 ) n chains along the [101] direction, with two I − ions per formula unit directly bonded to Nb 5+ . The other two I − ions are loosely coordinated and intercalated between the chains. Individual chains are chiral and stack along the b axis in opposing directions, giving space group P2 1 /c. The phase purity and crystal structure were verified by powder XRD. Density functional theory calculations show (Nb 4 Se 15 I 2 )I 2 to be a semiconductor with a direct band gap of around 0.6 eV. Resistivity measurements of bulk crystals and micropatterned devices demonstrate that (Nb 4 Se 15 I 2 )I 2 has an activation energy of around 0.1 eV, and no anomaly or transition was seen upon cooling. Low-temperature XRD shows that (Nb 4 Se 15 I 2 )I 2 does not undergo a structural phase transformation from room temperature to 8.2 K, unlike related compounds (NbSe 4 ) n I (n = 2, 3, or 3.33), which all exhibit charge-density waves. This compound represents a well-characterized and valenceprecise member of a diverse family of anisotropic transition-metal chalcogenides.

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Section: ■ Methodsmentioning

confidence: 99%

Quasi-One-Dimensional Transition-Metal Chalcogenide Semiconductor (Nb₄Se₁₅I₂)I₂

Riedel

Sánchez-Ramírez

et al. 2023

Inorg. Chem.

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“…1 S1 (ESI †). The Nb-Se bond lengths range from 2.58 to 2.63 Å, comparable to those in Nb 2 Se 2 I 6 (2.57 to 2.63 Å) 32 and NbSe 2 (2.59 Å). 33 The Pt01 atom is coordinated with four Se atoms and the average Pt-Se bond length is 2.44 Å, while the Pt02 atom is coordinated with five Se atoms and the bond lengths range from 2.47 to 2.57 Å, which are similar to those in Pt 3 Ta 2 Se 8 (2.41-2.58 Å).…”

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confidence: 60%

Pt modulation of NbSe₂ for enhanced activity and stability: a new Pt₃Nb₂Se₈ compound for highly-efficient alkaline hydrogen evolution

Luo

et al. 2022

Chem. Commun.

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“…charged chains, such as those observed in ruthenium/rhodium tellurochlorides [51] or Ta 3 Se 8 Br 6 [52] have not been considered). These structure types are NbSeBr 3 [53], NbSeI 3 [54], Nb 3 Se 5 Cl 7 [55], and MoS 2 Cl 3 [56]. The new ReSCl 3 structure type expands this family (Fig.…”

Section: Resultsmentioning

confidence: 99%

On the preparation, structure and bonding of ReSCl3

Волков¹,

Subbotin²,

Demchenko³

et al. 2015

Chem. Met. Alloys

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The reaction of Re 2 O 7 with a solution of S in S 2 Cl 2 at 100°C produced rhenium sulfur trichloride, ReSCl 3. The compound was found to have a polymeric linear structure [{ReCl 2 (µ µ µ µ-Cl)} 2 (µ µ µ µ-S) 2 ] ∞ ∞ ∞ ∞ , which represents a new structure type (space group C2/m, a = 11.4950(7), b = 6.5626(3), c = 5.9938(4) Å, β = 95.199(4)°, Z = 4). The structure is closely related to the NbCl 4-type and expands the series of similar one-dimensional chain structures. Distorted Re[Cl 4 S 2 ] octahedra share edges to form infinite straight chains along the [010] direction and the Re atoms are arranged in pairs with alternatively short (2.965 Å) and long (3.598 Å) Re-Re distances. Electronic structure calculations and chemical bonding analysis, using the electron density/electron-localizability indicator (ELI) approach, indicated overall metallic character and revealed a combination of covalent polar Re-Cl and Re-S bonds and weak Re-Re non-polar metallic bonds, yielding the ELI-based oxidation numbers (ELIBON) Re +3.40 S-1.20 [Cl1-0.68 ] 2 Cl2-0.84 .

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Nb2Se2I6: Eine neue Strukturvariante bei Niobchalkogenidhalogeniden mit Kettenstruktur

Cited by 9 publications

References 3 publications

Quasi-One-Dimensional Transition-Metal Chalcogenide Semiconductor (Nb₄Se₁₅I₂)I₂

Quasi-One-Dimensional Transition-Metal Chalcogenide Semiconductor (Nb₄Se₁₅I₂)I₂

Pt modulation of NbSe₂ for enhanced activity and stability: a new Pt₃Nb₂Se₈ compound for highly-efficient alkaline hydrogen evolution

On the preparation, structure and bonding of ReSCl3

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Nb2Se2I6: Eine neue Strukturvariante bei Niobchalkogenidhalogeniden mit Kettenstruktur

Cited by 9 publications

References 3 publications

Quasi-One-Dimensional Transition-Metal Chalcogenide Semiconductor (Nb4Se15I2)I2

Quasi-One-Dimensional Transition-Metal Chalcogenide Semiconductor (Nb4Se15I2)I2

Pt modulation of NbSe2 for enhanced activity and stability: a new Pt3Nb2Se8 compound for highly-efficient alkaline hydrogen evolution

On the preparation, structure and bonding of ReSCl3

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Quasi-One-Dimensional Transition-Metal Chalcogenide Semiconductor (Nb₄Se₁₅I₂)I₂

Quasi-One-Dimensional Transition-Metal Chalcogenide Semiconductor (Nb₄Se₁₅I₂)I₂

Pt modulation of NbSe₂ for enhanced activity and stability: a new Pt₃Nb₂Se₈ compound for highly-efficient alkaline hydrogen evolution