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ICSD for WWW : Details

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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=40209 Help
TitlePreparations and crystal structures of Se2I4(AsF6)2*SO2 and Se2I4(Sb2F11)2 and electronic structure of the eclipsed diselenium tetraiodide dication, containing two (SeI2)+ radical cations joined via pi*-pi*bond and a delocalized 4p pi-4p.
AuthorsNandana, W.A.S.;Passmore, J.;White, P.S.;Wong, C.-M.
ReferenceInorganic Chemistry (1990) 29, 3529-3538
Link XRef SCOPUS SCIRUS Google
CompoundAs2 F12 I4 O2 S1 Se2 - Bis(diiodoselenium) bis(hexafluoroarsenate(V)) - sulfur dioxide (1/1) [AB2C2X2Y4Z12] [mP92] [e29] []
Cell13.454(2), 9.930(1), 14.567(1), 90., 93.20(1), 90.
P121/C1 (14) V=1943.09
RemarksR=0.043000 : DEF

Atom (site) Oxid. x, y, z, B, Occupancy
Se1(4e)3
Se2(4e)3
I1(4e)-1
I2(4e)-1
I3(4e)-1
I4(4e)-1
S1(4e)4
O1(4e)-2
O2(4e)-2
As1(4e)5
F1(4e)-1
F2(4e)-1
F3(4e)-1
F4(4e)-1
F5(4e)-1
F6(4e)-1
As2(4e)5
F7(4e)-1
F8(4e)-1
F9(4e)-1
F10(4e)-1
F11(4e)-1
F12(4e)-1
F13(4e)-1
F14(4e)-1
F15(4e)-1
F16(4e)-1
F17(4e)-1
F18(4e)-1
0.2748(3)0.2142(4)0.6947(2)3.06(19)1
0.4069(3)0.1870(4)0.5506(2)3.46(20)1
0.1417(2)0.0637(3)0.6367(2)3.78(13)1
0.2097(2)0.4417(3)0.6631(2)4.30(14)1
0.3151(2)0.0169(3)0.4570(2)4.49(14)1
0.3673(2)0.3991(3)0.4700(2)4.79(14)1
0.8501(9)0.2028(11)0.1204(7)5.6(6)1
0.7731(23)0.145(3)0.0621(21)10.10(22)1
0.8401(21)0.341(3)0.1329(17)6.40(16)1
0.9802(3)0.7230(4)0.61175(25)3.38(30)1
0.973(3)0.662(3)0.5081(15)11.70(21)1
0.8572(15)0.748(3)0.6034(22)11.1(2)1
0.9902(20)0.7909(25)0.7181(15)8.80(16)1
0.1070(14)0.705(3)0.6174(16)8.50(16)1
0.9961(16)0.8809(20)0.5647(13)5.70(12)1
0.9688(17)0.5674(21)0.6544(16)7.40(15)1
0.5785(3)0.1805(4)0.2670(3)3.52(19)1
0.596(3)0.020(4)0.311(3)5.2(1)0.5
0.561(4)0.337(5)0.227(3)9.00(15)0.5
0.454(4)0.164(6)0.269(4)10.50(17)0.5
0.571(3)0.131(5)0.158(3)6.90(12)0.5
0.597(4)0.240(5)0.378(3)9.50(12)0.5
0.701(4)0.204(6)0.268(4)10.20(16)0.5
0.483(3)0.117(4)0.194(3)6.10(11)0.5
0.676(4)0.227(5)0.338(3)9.20(15)0.5
0.497(4)0.280(6)0.307(4)10.60(17)0.5
0.548(3)0.066(4)0.351(3)6.50(12)0.5
0.648(4)0.060(5)0.221(3)8.20(14)0.5
0.610(3)0.289(4)0.177(3)7.00(12)0.5

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