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TOPOSÉú³É½á¹ûÈçÏ£¬°ïÎÒ¿´¿´Ê²Ã´Çé¿ö¡£ ########################### 1:ÎҵķÖ×ÓʽXXX ########################### Structure consists of molecules (ZD1). The composition of molecule is Na Topology for ZD1 -------------------- Atom ZD1 links by bridge ligands and has Common vertex with R(A-A) f Total SA ZD 1 -0.5000 0.5000 0.0000 (-1 0 0) 15.512A 1 16.67 ZD 1 0.5000 0.5000 1.0000 ( 0 0 1) 15.512A 1 16.67 ZD 1 0.5000 1.0000 0.5000 ( 0 1 0) 15.512A 1 16.67 ZD 1 -0.5000 0.0000 0.5000 (-1 0 0) 15.512A 1 16.67 ZD 1 0.0000 0.0000 1.0000 ( 0 0 1) 15.512A 1 16.67 ZD 1 0.0000 1.0000 0.0000 ( 0 1 0) 15.512A 1 16.67 ------------------------- Structural group analysis ------------------------- ------------------------- Structural group No 1 ------------------------- Structure consists of 3D framework with ZD There are 2 interpenetrating nets FISE: Full interpenetration symmetry elements --------------------------------------------- 1: 2[1,-1,0] 2: 2[0,1,1] 3: 2[-1,0,1] 4: 2[0,-1,1] 5: 2[1,0,1] 6: 2[1,1,0] --------------------------------------------- PIC: [0,1,0][0,0,1][1,0,0] (PICVR=1) Zt=1; Zn=2 Class IIa Z=2 Coordination sequences ---------------------- ZD1: 1 2 3 4 5 6 7 8 9 10 Num 6 24 66 126 206 306 426 566 726 906 Cum 7 31 97 223 429 735 1161 1727 2453 3359 ---------------------- TD10=3359 Vertex symbols for selected sublattice -------------------------------------- ZD1 Point (Schlafli) symbol:{4^6;6^9} Extended point symbol:[4.4.4.4.4.4.6(4).6(4).6(4).6(7).6(7).6(7).6(7).6(7).6(7)] -------------------------------------- Point (Schlafli) symbol for net: {4^6;6^9} 6-c net; uninodal net Topological type: hxg; sqc947 {4^6;6^9} - VS [4.4.4.4.4.4.6(4).6(4).6(4).6(6).6(6).6(6).6(6).6(6).6(6)] (66909 types in 9 databases) Elapsed time: 5.52 sec. |
5Â¥2010-12-23 14:49:44
yunruirui
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3Â¥2010-12-22 20:19:15
yunruirui
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wsht212(½ð±Ò+1): 2011-02-19 12:39:37
wsht212(½ð±Ò+1): 2011-02-19 12:39:37
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