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. 2021 May 14;14(10):2561. doi: 10.3390/ma14102561

Table 17.

Crystal structures of Yb-borohydrides.

Material and Hydrogen Content [wt.%] Structural Parameters [Å, °] Atomic Positions Comments
α- Yb(BH4)2
5.56		 Space group: cubic Pa-3 (205)
a = b= c = 10.70715(15)
α= β= γ = 90 		Yb: 0.71615(5), 0. 71615(5), 0. 71615(5). B: −0.0391(12), 0.6968(11), 0.7536(18). H1: −0.104(6), 0.640(6), 0.684(6). H2: 0.064(3), 0.652(5), 0.753(8). H3: −0.079(7), 0.693(7), 0.857(3). H4: −0.031(6), 0.803(2), 0.720(7) [198]
β-Yb(BH4)2
5.56		 Space group: cubic Pm-3m (221)
a = b = c = 5.44223(3)
α = β = γ = 90 		Yb: 0, 0, 0. B: ½, 0, 0. H: 0.3745(4), 0, 0.1826(3) [198]