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Figure 3
Extracted SiO3 fragment. (a) Two-dimensional EP map on the (004) plane with electric fields. The boundary defining the dipole unit can be determined by the local minimum value of the EP around the fragments (white dashed line). (b) Extracted three-dimensional perspective of the SiO3 fragment area (yellow) with the shape of the SiO3 molecule with an isosurface of 0.8 e Å3 (grey).

Volume 1| Part 3| April 2014| Pages 160-164
ISSN: 2052-2525