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[ Last edited by yanhualover on 2010-12-22 at 15:53 ]
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Originally posted by yunruirui at 2010-12-23 13:57:52:

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###########################
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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
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Originally posted by yunruirui at 2010-12-22 18:34:09:
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Originally posted by yanhualover at 2010-12-22 20:19:15:

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