In Situ Hydrogenation of the Zintl Phase SrGe
datasetposted on 18.01.2017, 19:45 by Henry Auer, Dirk Wallacher, Thomas Christian Hansen, Holger Kohlmann
Hydrides (deuterides) of the CrB-type Zintl phases AeTt (Ae = alkaline earth; Tt = tetrel) show interesting bonding properties with novel polyanions. In SrGeD4/3–x (γ phase), three zigzag chains of Ge atoms are condensed and terminated by covalently bound D atoms. A combination of in situ techniques (thermal analysis and synchrotron and neutron powder diffraction) revealed the existence of two further hydride (deuteride) phases with lower H (D) content (called α and β phases). Both are structurally related to the parent Zintl phase SrGe and to the ZrNiH structure type containing variable amounts of H (D) in Sr4 tetrahedra. For α-SrGeDy, the highest D content y = 0.29 was found at 575(2) K under 5.0(1) MPa of D2 pressure, and β-SrGeDy shows a homogeneity range of 0.47 < y < 0.63. Upon decomposition of SrGeD4/3–x (γ-SrGeDy), tetrahedral Sr4 voids stay filled, while the Ge-bound D4 site loses D. When reaching the lower D content limit, SrGeD4/3–x (γ phase) with 0.10 < x < 0.17, decomposes to the β phase. All three hydrides (deuterides) of SrGe show variable H (D) content.
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β phasesβ- SrGeD yD 2 pressureneutron powder diffractionnovel polyanionsparent Zintl phase SrGeGe-bound D 4 siteα- SrGeD yZintl Phase SrGe HydridesSr 4 tetrahedraD atomszigzag chainsβ phasedeuterideD content limithomogeneity rangeGe atomsSitu HydrogenationD content ySrGe showZrNiH structure typeCrB-type Zintl phases AeTt