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

Wu, Hui; Skripov, A. V.; Udovic, Terrence J.; Rush, J. J.; Derakhshan, Shahab; Kleinke, Holger

doi:10.1016/j.jallcom.2009.12.187

Cited by 13 publications

(17 citation statements)

References 23 publications

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“…The other interstitial site filled by hydrogen (or deuterium) is located in the Sc 4/2 Nd 2 octahedron. This position has been observed in the homologous phases La 2 Ti 2 As 2 H 2.3 [40],T i 2 SbD 0.5 [41] Intensity (a. u.)…”

Section: Structural Discussionsupporting

confidence: 63%

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Hydrogenation studies on NdScSi and NdScGe

Tencé

Mahon

Gaudin

et al. 2016

Journal of Solid State Chemistry

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READ THESE TERMS AND CONDITIONS CAREFULLY BEFORE USING THIS WEBSITE.http://nparc.cisti-icist.nrc-cnrc.gc.ca/eng/copyright Vous avez des questions? Nous pouvons vous aider. Pour communiquer directement avec un auteur, consultez la première page de la revue dans laquelle son article a été publié afin de trouver ses coordonnées. Si vous n'arrivez pas à les repérer, communiquez avec nous à PublicationsArchive-ArchivesPublications@nrc-cnrc.gc.ca. Questions? Contact the NRC Publications Archive team atPublicationsArchive-ArchivesPublications@nrc-cnrc.gc.ca. If you wish to email the authors directly, please see the first page of the publication for their contact information. NRC Publications Archive Archives des publications du CNRCThis publication could be one of several versions: author's original, accepted manuscript or the publisher's version. / La version de cette publication peut être l'une des suivantes : la version prépublication de l'auteur, la version acceptée du manuscrit ou la version de l'éditeur. NRC Publications Record / Notice d'Archives des publications de CNRC:http://nparc.cisti-icist.nrc-cnrc.gc.ca/eng/view/object/?id=bdfd6936-d9f6-4f07-9806-797f96ca9512 http://nparc.cisti-icist.nrc-cnrc.gc.ca/fra/voir/objet/?id=bdfd6936-d9f6-4f07-9806-797f96ca9512 NdScSi and NdScGe were synthesized from the elements via arc-melting and subsequent annealing. Their ordered La 2 Sb type structures, with space group I4/mmm, were refined from single crystal X-ray diffractometer data: a ¼428.94(6) and b ¼1570.5(3) pm, wR2 ¼ 0.0395, 309 F 2 values for NdScSi and a ¼431.2(1) and c ¼1581.3(5) pm, wR2 ¼ 0.1220, 227 F 2 values for NdScGe, with 11 variables per refinement.Hydrogen insertion was performed on both Nd-based intermetallics by solid/gas reaction. Hydrogen uptake keeps the pristine compound space group but yields an anisotropic expansion of the unit cell with a large increase of c ( E þ7%) and a slight decrease of a ( E À 1.7%) parameters. Hydrogen absorption at 350°C and under 5 bar of H 2 pressure shows that the hydride NdScSiH 1.48(5) is formed. An in-situ neutron diffraction study during the deuteration of NdScSi reveals for the first time in a CeScSi-type compound, the possibility to fill two interstitial sites with deuterium atoms, leading to the composition NdScSiD 1.5 for the deuteride adopting then the La 2 Fe 2 Se 2 O 3 -type structure.From magnetization measurements, we evidence that hydrogenation strongly reduces the Curie temperature of NdScSi (T C ¼ 175 K) and NdScGe (T C ¼194 K) since NdScSiH 1.5 and NdScGeH x undergo a magnetic transition at 4 K and around 2 K, respectively.

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Section: Structural Discussionsupporting

confidence: 63%

“…Thus the delocalization of the hydrogen (or deuterium) along the c-axis cannot be attributed to steric strains. It may also be noticed that in the case of Ti 2 SbD 0.5 only the octahedral site is filled by H-atoms [41]. This induces a small increase of the a parameter (þ0.9%) and a small decrease of the c parameter ( À 1.2%).…”

Section: Structural Discussionmentioning

confidence: 95%

Hydrogenation studies on NdScSi and NdScGe

Tencé

Mahon

Gaudin

et al. 2016

Journal of Solid State Chemistry

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“…Although fluorides have larger formation enthalpies, as a result of the high electron affinity of F, the F − ion is unable to act as a σ donor. Interestingly, Ti 4 Sb 2 H 0.9 reported recently includes a similar Ti 2 H 0.9 net with a TiTi distance of 2.82 Å 11. In this tetragonal layered structure, (Ti 2 Sb 2 ) rocksalt layer and Ti 2 H 0.9 layer are stacked along the c ‐axis, and the TiH 4 H 2 unit is composed of an elongated octahedron with four short and two long distorted bond lengths (4×2.00 Å, 2×2.38 Å).…”

mentioning

confidence: 58%

An Anti CuO₂‐type Metal Hydride Square Net Structure in Ln₂M₂As₂H_x (Ln=La or Sm, M=Ti, V, Cr, or Mn)

et al. 2014

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Using a high pressure technique and the strong donating nature of H(-), a new series of tetragonal La2Fe2Se2O3-type layered mixed-anion arsenides, Ln2M2As2H(x), was synthesized (Ln=La or Sm, M=Ti, V, Cr, or Mn; x≈3). In these compounds, an unusual M2H square net, which has anti CuO2 square net structures accompanying two As(3-) ions, is sandwiched by (LaH)2 fluorite layers. Notably, strong metal-metal bonding with a distance of 2.80 Å was confirmed in La2Ti2As2H2.3, which has metallic properties. In fact, these compounds are situated near the boundary between salt-like ionic hydrides and transition-metal hydrides with metallic characters.

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“…The existence of a compound at this composition was not confirmed in later studies, but a compound with similar cell parameters was found at the composition 11:8 (Ti 10.84 Sb 7.73 ) [7]. A metastable Ti 3 Sb phase with hexagonal Mg 3 Cd-type structure has also been reported [8]. Crystallographic data for compounds in the boundary binary systems are summarized in Table 1.…”

Section: Introductionmentioning

confidence: 87%

Phase equilibria in the Ce–Ti–Sb and Gd–Ti–Sb ternary systems at 600°C and the crystal structures of the Ce2Ti7Sb12 and Gd2Ti11Sb14 compounds

Senchuk¹,

Tokaychuk²,

Serkiz³

et al. 2017

Chem. Met. Alloys

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The phase equilibria in the Ce-Ti-Sb and Gd-Ti-Sb ternary systems at 600°C were established by means of X-ray powder diffraction and EDX analysis. The formation of two ternary compounds in the Ce-Ti-Sb system, Ce 3 TiSb 5 (Hf 5 CuSn 3 type) and Ce 2 Ti 7 Sb 12 (La 2 Ti 7 Sb 12 type), and of one ternary compound in the Gd-Ti-Sb system, Gd 2 Ti 11 Sb 14 (Sm 2 Ti 11 Sb 14 type), was confirmed. At 600°C, seven binary compounds were found to exist in the Ti-Sb system, four in the Ce-Sb system, and four in the Gd-Sb system. No binary compounds form in the {Ce, Gd}-Ti systems. The crystal structures of the Ce 2 Ti 7 Sb 12 and Gd 2 Ti 11 Sb 14 compounds were refined on X-ray powder diffraction data, starting from the initial atomic parameters of the La 2 Ti 7 Sb 12 and Sm 2 Ti 11 Sb 14 structure types, respectively. The isothermal sections of the phase diagrams of the Ce-Ti-Sb and Gd-Ti-Sb ternary systems at 600°C were constructed in the whole concentration range.

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

Cited by 13 publications

References 23 publications

Hydrogenation studies on NdScSi and NdScGe

Hydrogenation studies on NdScSi and NdScGe

An Anti CuO₂‐type Metal Hydride Square Net Structure in Ln₂M₂As₂H_x (Ln=La or Sm, M=Ti, V, Cr, or Mn)

Phase equilibria in the Ce–Ti–Sb and Gd–Ti–Sb ternary systems at 600°C and the crystal structures of the Ce2Ti7Sb12 and Gd2Ti11Sb14 compounds

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

Cited by 13 publications

References 23 publications

Hydrogenation studies on NdScSi and NdScGe

Hydrogenation studies on NdScSi and NdScGe

An Anti CuO2‐type Metal Hydride Square Net Structure in Ln2M2As2Hx (Ln=La or Sm, M=Ti, V, Cr, or Mn)

Phase equilibria in the Ce–Ti–Sb and Gd–Ti–Sb ternary systems at 600°C and the crystal structures of the Ce2Ti7Sb12 and Gd2Ti11Sb14 compounds

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An Anti CuO₂‐type Metal Hydride Square Net Structure in Ln₂M₂As₂H_x (Ln=La or Sm, M=Ti, V, Cr, or Mn)