Figure 6
Initial atomic decoration of two rhombi of the RPT at each atomic layer. Color coding is as follows: red – TM, blue – Al, blue/red – mixed atom, blue half-sphere – partially occupied site by Al. Atom 23 (see the supporting information for details) is indicated. The atom potentially causes the point density of the model to be too high. The distributions of electron density (ρmax) in the positions of local maxima are plotted for thick (top) and thin (bottom) rhombi. The electron density is normalized by the maximal electron density within each rhombus. Two emerging sectors correspond to two atomic species likely to be present in the structure. |