Multipole refinement and electron density analysis in natural borosilicate datolite using X-ray diffraction data

Ivanov, Y.V.; Belokoneva, E.L.

doi:10.1107/S0108768106041681

Acta Crystallographica Section B
Acta Crystallographica
Section BSTRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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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., 2002

). Circles mark datolite points. (a) Plot of R_b(O) (bonded radii) versus bond lengths. (b) Plot of ρ(r_cp), expressed in e Å⁻³, versus bond lengths. (c) Plot of ∇²ρ(r_cp), expressed in e Å⁻⁵, versus bond length.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 63| Part 1| January 2007| Pages 49-55

https://doi.org/10.1107/S0108768106041681

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