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Enumeration of four-connected three-dimensional nets. I. Conversion of all edges of simple three-connected two-dimensional nets into crankshaft chains.Acta crystallographica. Section A, Foundations of crystallography, 55 Pt 2 Pt 2
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A three‐repeat saw (s) chain has each vertical edge separated by a tooth composed of two tilted edges zig and zag. Some horizontal (h) edges from a parallel stack of three‐connected two‐dimensional (2D) nets can be converted into an s chain. Each resulting four‐connected vertex in the three‐dimensional (3D) net may be part of either one, two or three s chains. The first type of (h,s)* 3D net is related by a sigma‐type mirror plane to a (h,z)* net listed in paper II [Han & Smith (1998). Acta Cryst. A55, 342–359]. The second type does not have an (h,z)* relative. Using the same three‐connected 2D nets as in paper II, 174 four‐connected 3D nets were selected from the first two types, including six in known structures: `nepheline hydrate' (International Zeolite Association Structure Commission code JBW), AlPO4‐12‐TAMU (ATT), offretite (OFF), Linde Type L (LTL), SUZ‐4 (SZF) and ZSM‐10 (ZST). The third type with three back‐to‐back s chains is represented by edingtonite (EDI), and systematic enumeration is in progress. The geometrical and topological properties of the 3D nets are given. Idealized unit‐cell data and atomic coordinates for tetrahedral bonding were obtained for 40 selected 3D nets by distance‐least‐squares (DLS) refinement.
Acta Crystallographica Section A Foundations of Crystallography – Wiley
Published: Jan 1, 1999
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