The crystal structure of Nb3AuHx

Antonov, V.E.; Bokhenkov, E.L.; Dörner, B.; Федотов, В. К.; Grosse, G.; Latynin, A.I.; Wagner, F. E.; Wordel, R.

doi:10.1016/s0925-8388(97)00237-5

Cited by 9 publications

(4 citation statements)

References 12 publications

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“…1. A partial occupancy of the 24k sites in Ti 3 IrD 3.63 [12] and the 16i sites in Nb 3 AuH 2.9 and Nb 3 AuH 4.2 [13] has been confirmed by neutron diffraction measurements.…”

Section: Introductionmentioning

confidence: 61%

“…The first neutron diffraction study of hydrogen sites in an A15-type hydride [4] has revealed that H atoms in Nb 3 SnH 1.0 occupy the 6d positions of the space group Pm3n, i.e., the tetrahedral interstitial sites (coordinated by four Nb atoms) on the faces of the unit cell. These sites appear to be the most attractive for hydrogen in A15-type compounds, and the preferential filling of the 6d sites by H(D) atoms has been reported for Ti 3 SbD x [11], Ti 3 IrD x [12], Nb 3 AuH x [13] and Nb 3 (Al 0.84 Nb 0. 16 )D x [14].…”

Section: Introductionmentioning

confidence: 87%

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Hydrogen in Ti3Sb and Ti2Sb: Neutron vibrational spectroscopy and neutron diffraction studies

Skripov

Udovic

et al. 2010

Journal of Alloys and Compounds

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“…1. A partial occupancy of the 24k sites in Ti 3 IrD 3.63 [12] and the 16i sites in Nb 3 AuH 2.9 and Nb 3 AuH 4.2 [13] has been confirmed by neutron diffraction measurements.…”

Section: Introductionmentioning

confidence: 61%

Section: Introductionmentioning

confidence: 87%

Hydrogen in Ti3Sb and Ti2Sb: Neutron vibrational spectroscopy and neutron diffraction studies

Skripov

Udovic

et al. 2010

Journal of Alloys and Compounds

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“…To the best of our knowledge, there is no direct information on the positions occupied by hydrogen in Nb 3 Al. However, on the basis of the general trends of site occupancy in hydrides of intermetallic compounds [16] and the neutron diffraction data for A15-type Nb 3 SnH 1.0 [4], Ti 3 SbD 2.6 [17], Ti 3 IrD x [18] and Nb 3 AuH x [19], we may expect H atoms in Nb 3 AlH x to occupy the 6d positions of the space group P m3n (i.e. the tetrahedral interstitial sites formed by four Nb atoms).…”

Section: Introductionmentioning

confidence: 99%

Nuclear magnetic resonance study of hydrogen diffusion in A15-type Nb₃AlH_x

Skripov

Soloninin

Stepanov

et al. 2000

J. Phys.: Condens. Matter

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Nuclear magnetic resonance measurements of the proton spin-lattice relaxation rate T1-1 for A15-type Nb3AlHx (x = 0.13, 1.77 and 2.75) have been performed over the temperature range 20-420 K and the resonance frequency range 13-90 MHz. The experimental results are analysed to evaluate the electronic (Korringa) contributions to T1-1 and the parameters of hydrogen diffusion. It is found that the electronic contribution to the relaxation rate decreases with increasing H content. The effective activation energies for H diffusion derived from the high-temperature relaxation rate data are 0.21 eV for x = 0.13 and 0.30 eV for x = 1.77 and 2.75. The behaviour of T1-1 at low temperatures (T<270 K for x = 1.77 and 2.75) suggests a coexistence of at least two frequency scales of H hopping. It is shown that the structure of the sublattice of interstitial d sites (partially occupied by hydrogen) is consistent with the coexistence of two characteristic jump rates for H atoms.

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“…A single-phase state of Nb 3 AlH x with the A15-type host lattice has been found for x Ͻ 0.2 and 1.5Ͻ x ഛ 2.2. 5 On the basis of the general trends of site occupancy in hydrides of intermetallic compounds 17 and the neutron diffraction data for A15type Nb 3 SnH 1.0 , 4 Ti 3 SbD 2.6 , 18 Ti 3 IrD x , 19 and Nb 3 AuH x , 20 we may expect that H atoms in Nb 3 AlH x occupy the 6d posi-tions of the space group Pm3n ͑i.e., the tetrahedral interstitial sites coordinated by four Nb atoms͒. This is also consistent with the neutron diffraction results for nonstoichiometric Nb 3 ͑Al 0.84 Nb 0.16 ͒D 2.52 .…”

Section: Introductionmentioning

confidence: 99%

Quasielastic neutron scattering study of hydrogen motion in A15-typeNb3AlHx

2006

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In order to study the mechanism and parameters of hydrogen diffusion in A15-type intermetallic Nb 3 Al, we have performed high-resolution quasielastic neutron scattering measurements in Nb 3 AlH x ͑x = 0.13 and 1.77͒ over the temperature range 10-407 K. The experimental results are consistent with a coexistence of two hydrogen jump processes: the fast H motion along the chains formed by interstitial d ͑Nb 4 ͒ sites and the slower H jumps from one chain to another. It is found that the modified Chudley-Elliott model taking into account the structure of the d-site sublattice gives a qualitative description of the experimental data for Nb 3 AlH 0.13 . The faster jump process in Nb 3 AlH 0.13 corresponding to the long-range H diffusion along the d-site chains is characterized by the activation energy of 194 meV. In Nb 3 AlH 1.77 the d-site chains are more than half filled, and the faster jump process is well described in terms of a model of local H jumps within pairs of nearestneighbor d sites on the chains.

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The crystal structure of Nb3AuHx

Cited by 9 publications

References 12 publications

Hydrogen in Ti3Sb and Ti2Sb: Neutron vibrational spectroscopy and neutron diffraction studies

Hydrogen in Ti3Sb and Ti2Sb: Neutron vibrational spectroscopy and neutron diffraction studies

Nuclear magnetic resonance study of hydrogen diffusion in A15-type Nb₃AlH_x

Quasielastic neutron scattering study of hydrogen motion in A15-typeNb3AlHx

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The crystal structure of Nb3AuHx

Cited by 9 publications

References 12 publications

Hydrogen in Ti3Sb and Ti2Sb: Neutron vibrational spectroscopy and neutron diffraction studies

Hydrogen in Ti3Sb and Ti2Sb: Neutron vibrational spectroscopy and neutron diffraction studies

Nuclear magnetic resonance study of hydrogen diffusion in A15-type Nb3AlHx

Quasielastic neutron scattering study of hydrogen motion in A15-typeNb3AlHx

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Nuclear magnetic resonance study of hydrogen diffusion in A15-type Nb₃AlH_x