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000626122 1001_ $$00000-0001-5371-1082$$aMarqueño, Tomas$$b0
000626122 245__ $$aSynthesis of Na$_3$WH$_9$ and Na$_3$ReH$_8$ Ternary Hydrides at High Pressures
000626122 260__ $$aWashington, DC$$bAmerican Chemical Society$$c2024
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000626122 520__ $$aThe Na–W–H and Na–Re–H ternary systems were studied in a diamond anvil cell through X-ray diffraction and Raman spectroscopy, supported by density functional theory and molecular dynamics calculations. Na$_3$WH$_9$ can be synthesized above 7.8 GPa and 1400 K, remaining stable between at least 0.1 and 42.1 GPa. The rhenium analogue Na$_3$ReH$_8$ can form at 10.1 GPa upon laser heating, being stable between at least 0.3 and 32.5 GPa. Na$_3$WH$_9$ and Na$_3$ReH$_8$ host [WH$_9$]$^{3–}$ and [ReH$_8$]$^{3–}$ anions, respectively, forming homoleptic 18-electron complexes in both cases. Both ternary hydrides show similar structural types and pressure dependent phase transitions. At the highest pressures they adopt a distorted fcc Heusler structure (Na$_3$WH$_9$II′ and Na$_3$ReH$_8$–II′) while upon decompression the structure symmetrizes becoming fcc between ∼6.4 and 10 GPa for Na$_3$WH$_9$–II and at 17 GPa for Na$_3$ReH$_8$–II. On further pressure release, the fcc phases transform into variants of a (quasi-) hexagonal structure at ∼3 GPa, Na$_3$WH$_9$–I and Na$_3$ReH$_8$–I.
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000626122 7001_ $$0P:(DE-H253)PIP1099244$$aOsmond, Israel$$b1
000626122 7001_ $$0P:(DE-H253)PIP1100652$$aKuzovnikov, Mikhail$$b2
000626122 7001_ $$0P:(DE-H253)PIP1102832$$aShuttleworth, Hannah$$b3
000626122 7001_ $$0P:(DE-HGF)0$$aGallego-Parra, Samuel$$b4
000626122 7001_ $$0P:(DE-H253)PIP1014479$$aGregoryanz, Eugene$$b5
000626122 7001_ $$0P:(DE-H253)PIP1102453$$aHermann, Andreas$$b6
000626122 7001_ $$0P:(DE-H253)PIP1029046$$aHowie, Ross$$b7
000626122 7001_ $$00000-0001-7056-7158$$aPeña-Alvarez, Miriam$$b8$$eCorresponding author
000626122 773__ $$0PERI:(DE-600)1484438-2$$a10.1021/acs.inorgchem.4c02691$$gVol. 63, no. 45, p. 21734 - 21741$$n45$$p21734 - 21741$$tInorganic chemistry$$v63$$x0020-1669$$y2024
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