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Figure 3
Bond CP properties versus the B—O, Si—O and Ca—O bond lengths (expressed in Å). Rhombi mark the ab initio points (Downs et al., 2002BB16). Circles mark datolite points. (a) Plot of Rb(O) (bonded radii) versus bond lengths. (b) Plot of ρ(rcp), expressed in e Å−3, versus bond lengths. (c) Plot of ∇2ρ(rcp), expressed in e Å−5, versus bond length.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 63| Part 1| January 2007| Pages 49-55
doi:10.1107/S0108768106041681
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