Building scheme for CGS and ETR

Transcription

1 Building sheme for CGS and ETR! 1. Periodi Building Unit 2. Connetion mode 3. Projetions of the unit ell ontent 4. Channels and/or ages. Supplementary information 1. Periodi Building Unit: CGS and ETR an e uilt using as one-dimensional Periodi Building Unit (PerBU) the hain depited in Figure 1. The hain is omposed of units of 16 T atoms (in old) related y pure translations along z. The T16-unit onsists of two two-fold (1,2)-onneted doule 4-rings or, alternatively, of a doule 6-ring and a doule 4-ring (sharing a fae) with two open T-T onds (see Alternative desription) _ x x 4z Figure 1. PerBU omposed of T16-units (left) and perspetive views of the PerBU along the hain axis z (right). The two PerBUs at the right are equal and are related y a rotation of 180º aout x. _ 2. Connetion mode: Neighoring PerBUs an e onneted in two different ways through 4-rings: (1): neighoring PerBUs are related y a 3-fold rotation axis parallel to the hain axis z; (2): neighoring PerBUs are related y a rotation of 180 aout x and a shift of ½y. Connetion mode (1) Figure 2. Connetion mode (1) in ETR viewed along the 3-fold axis (left), and projeted along the 3-fold axis (right). [Figure 2 is ontinued on next page]

2 x y z Connetion mode (2) Figure 2 [Cont d]. Connetion mode (2) in CGS viewed along y (left), and projeted along z (right). 3. Projetions of the unit ell ontent: Pure CGS and ETR are otained when neighoring PerBUs are exlusively related y 2-fold srew axes parallel to x and y 3-fold rotation axes parallel to z, respetively. CGS a Figure 3. Cell ontent in CGS projeted along (left), and along a (right). [Figure 3 is ontinued on next page]

3 a ETR aos30 Figure 3 [Cont d]. Cell ontent in ETR projeted along (top), and along (ottom). 4. Channels and/or ages: In CGS, 8-ring hannels parallel to and 10-ring hannels parallel to a do interset. In ETR two types of hannel intersetions (or avities) are present. The first avity is the intersetion of 8-ring hannels parallel to <100>; the seond avity is the intersetion of the 18-ring hannel parallel to with the 8-ring hannels. For eah intersetion the pore desriptor is added in Figure 4. The fusion of the avities is illustrated in Figure. a {2 [ ] [100] (10-ring), [010] (8-ring)} Figure 4. Cavity in CGS viewed along a (left), and along (right). [Figure 4 is ontinued on next page]

4 a a Pore(1): {2 [ ] <100> (8-ring)} a Pore(2): {3 [ ] <100> (8-ring), [001] (18-ring)} Figure 4 [Cont d]. The two hannel intersetions in ETR. Top: avity(1) viewed along (left and middle), and along (right). The drawing at the left is added to illustrate that the free entrane to three of the six 8-rings of avity(1) are loked y additional 6-rings; Bottom: avity(2) viewed along (left), and along (right). a Figure. Fusion of the two types of avities in ETR viewed along <010> (left), and along (right). [Figure is ontinued on next page]

5 a a Figure [Cont d]. Fusion of avities in CGS. Fusion in the a layer (top) viewed along (left) and along a (right), and fusion in the layer (ottom) viewed along a (left) and along (right).. Supplementary information: Other framework types ontaining (modified) doule 4-rings (D4Rs) Doule 4-rings (D4Rs) an e onneted in several other ways. In some ases the 4-rings of the D4Rs are not 4-fold onneted and/or additional T atoms are needed to uild the framework. In the INTRO pages links are given to a detailed desription of a su-set of framework types that ontain (modified) D4Rs (hoose: Doule 4-rings). There is also a link provided to a summary of the PerBUs used in the uilding shemes of these framework types (hoose: Appendix; Figure ). Alternative desription of CGS and ETR using (modified) doule 6-rings (D6Rs) Several framework types, like CGS and ETR, an e uilt using (modified) D6Rs (see Figure 1). In the INTRO pages links are given to a detailed desription of a su-set of framework types that ontain (modified) D6Rs (hoose: Doule 6-rings). There is also a link provided to a summary of the PerBUs used in the uilding shemes of these framework types (hoose: Appendix; Figure 7).