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ICSD for WWW : Details

ICSD for WWW

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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=93956 Help
TitleSynthesis and structure of pure silica-RUB-10 (structure type: RUT)obtained with pyrrolidine as the structure directing agent.
AuthorsMarler, B.;Werthmann, U.;Gies, H.
ReferenceMicroporous and Mesoporous Materials (2001) 43, 329-340
Link XRef SCOPUS SCIRUS Google
CompoundC16 H36 N4 O72 Si36 - [Zeolite RUB-10] Silicon oxide (36/72) - pyrrolidine (1/4) [] [mS164] [c30 b2 a2] []
Cell13.3395(3), 13.1753(3), 12.5916(3), 90, 113.97(1), 90
C121 (5) V=2022.15
RemarksR=0.055000 : RVP XDP MIN =Zeolite RUB-10 :
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.

Atom (site) Oxid. x, y, z, B, Occupancy
Si1(4c)4
Si2(4c)4
Si3(4c)4
Si4(4c)4
Si5(2b)4
Si6(4c)4
Si7(4c)4
Si8(4c)4
Si9(4c)4
Si10(2b)4
O1(4c)-2
O2(4c)-2
O3(4c)-2
O4(4c)-2
O5(4c)-2
O6(4c)-2
O7(4c)-2
O8(4c)-2
O9(4c)-2
O10(4c)-2
O11(2a)-2
O12(4c)-2
O13(4c)-2
O14(4c)-2
O15(4c)-2
O16(4c)-2
O17(4c)-2
O18(4c)-2
O19(2a)-2
C1(4c)0
C2(4c)0
C3(4c)0
C4(4c)0
N1(4c)0
H1(4*)0
0.295(1)0.1286(9)0.109(1)0.004(1)1
0.297(1)0.130(2)0.358(1)0.004(1)1
0.054(1)0.129(2)0.321(1)0.004(1)1
0.927(1)0.218(1)0.070(1)0.004(1)1
0.0.259(2)0.50.004(1)1
0.293(1)0.8971(3)0.107(1)0.004(1)1
0.298(1)0.895(2)0.359(1)0.004(1)1
0.056(1)0.894(2)0.324(1)0.004(1)1
0.928(1)0.805(1)0.071(1)0.004(1)1
0.0.764(2)0.50.004(1)1
0.386(2)0.196(1)0.092(2)0.010(4)1
0.175(1)0.145(2)0.005(2)0.010(4)1
0.326(2)0.0126(8)0.107(2)0.010(4)1
0.292(3)0.158(2)0.231(2)0.010(4)1
0.182(1)0.156(2)0.366(3)0.010(4)1
0.3923(9)0.195(2)0.451(2)0.010(4)1
0.328(2)0.012(2)0.386(2)0.010(4)1
-0.009(2)0.159(2)0.188(1)0.010(4)1
0.003(2)0.189(2)0.396(1)0.010(4)1
0.038(2)0.012(2)0.339(2)0.010(4)1
0.0.237(2)0.0.010(4)1
0.882(2)0.326(1)0.091(2)0.010(4)1
0.1069(9)0.328(2)0.550(2)0.010(4)1
0.1741(9)0.879(2)0.002(2)0.010(4)1
0.289(3)0.869(2)0.230(2)0.010(4)1
0.184(1)0.867(2)0.370(2)0.010(4)1
-0.006(2)0.860(2)0.192(1)0.010(4)1
0.004(2)0.833(2)0.397(1)0.010(4)1
0.0.789(3)0.0.010(4)1
0.736(7)-0.031(2)0.373(3)0.16(3)1.000
0.616(6)-0.031(2)0.314(8)0.16(3)1.000
0.595(4)-0.031(2)0.183(6)0.16(3)1.000
0.706(8)-0.031(2)0.185(6)0.16(3)1.000
0.757(3)-0.090(7)0.289(7)0.16(3)1.000
09.

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