A niobium-necked cluster [As3Nb(As3Sn3)]3− with aromatic Sn32−

Fu-Xing Pan; Cong-Qiao Xu; Lei-Jiao Li; Xue Min; Jian-Qiang Wang; Jun Li; Hua-Jin Zhai; Zhong-Ming Sun

doi:10.1039/c6dt00028b

A niobium-necked cluster [As3Nb(As3Sn3)]3− with aromatic Sn32−

Dalton Transactions ◽

10.1039/c6dt00028b ◽

2016 ◽

Vol 45 (9) ◽

pp. 3874-3879 ◽

Cited By ~ 6

Author(s):

Fu-Xing Pan ◽

Cong-Qiao Xu ◽

Lei-Jiao Li ◽

Xue Min ◽

Jian-Qiang Wang ◽

...

Keyword(s):

Niobium Atom

A new Zintl cluster [As3Nb(As3Sn3)]3− was synthesized and characterized, in which an As3 triangle and a bowl-type As3Sn3 ligand are bridged by a niobium atom. The Sn3 ring is found to have σ-aromaticity featured by a delocalized Sn–Sn–Sn σ orbital.

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Electronic structure of niobium telluride ion, NbTe103-, a tellurium cluster with an encapsulated metal [niobium] atom

Inorganic Chemistry ◽

10.1021/ic00032a020 ◽

1992 ◽

Vol 31 (6) ◽

pp. 1030-1033 ◽

Cited By ~ 4

Author(s):

Wolfgang Tremel

Keyword(s):

Electronic Structure ◽

Niobium Atom

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Study of Niobium Diffusion and Clusterization in hcp Zr-Nb Dilute Alloys

Defect and Diffusion Forum ◽

10.4028/www.scientific.net/ddf.375.167 ◽

2017 ◽

Vol 375 ◽

pp. 167-174 ◽

Cited By ~ 1

Author(s):

Daria Smirnova ◽

Sergey Starikov

Keyword(s):

Cluster Size ◽

Cluster Formation ◽

Atomistic Simulations ◽

Octahedral Position ◽

Niobium Atom ◽

Self Diffusion ◽

Dilute Alloys ◽

Simulation Results

We perform atomistic simulations aimed on study of diffusion of constituents and niobium precipitation in hcp Zr-Nb. We report diffusivities of Zr and Nb in hcp Zr-Nb alloys computed for the models containing up to 5 at.% of niobium. The calculated diffusivity of niobium rises with increase of its content in the alloy. The simulations also show that for a studied concentration range addition of niobium slightly enhances self-diffusion of zirconium in the alloys. The work is also devoted to description of niobium incorporation and clusterization in hcp zirconium. It is confirmed that for a single niobium atom incorporated in hcp zirconium lattice the octahedral position is the most favorable. We estimated the energy describing niobium cluster formation in pure hcp zirconium. According to the simulation results, we can suggest that the minimum niobium cluster size that can be expected in hcp Zr corresponds to about 80 atoms.

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Extended X-Ray Absorption Fine Structure study of Potassium Niobate

MRS Proceedings ◽

10.1557/proc-172-291 ◽

1989 ◽

Vol 172 ◽

Cited By ~ 7

Author(s):

K. H. Kim ◽

W. T. Elam ◽

E. F. Skelton

Keyword(s):

Fine Structure ◽

Structure Study ◽

Potassium Niobate ◽

Cubic Phase ◽

Niobium Atom ◽

X Ray ◽

Nonlinear Fitting ◽

Absorption Fine ◽

Strong Order ◽

X Ray Absorption

AbstractExtended x-ray absorption fine structure (EXAFS) of potassium niobate (KnbO3 ) was measured at the K edge of Nb, at various temperatures to include all phases of the material. The first shell data were analyzed to determine the distances between the niobium atom and its oxygen neighbors. The single shell amplitude almost vanishes around k-7.5 A−1 at all temperatures, suggesting two distances with a separation of about 0.21 A. Nonlinear fitting was used to determine the structure more carefully and the data at all temperatures can be fit reasonably well with two Nb-O ditances. This is in disagreement with the displacive model which implies only one Nb-O distance in the cubic phase. This result suggests that the niobium atom is displaced along the (111) direction relative to the oxygen atom in all phases. Thus, the transitions are not displacive, but have a strong order-disorder character.

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