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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=96001 Help
TitleReaction of fully indium-exchanged zeolite A with hydrogen sulfide. Crystal structures of indium-exchanged zeolite A containing In2 S, In S H, sorbed H2 S and (In5)(7+).
AuthorsHeo, N.-H.; Chun, C.W.; Park, J.S.; Lim, W.T.; Park, M.; Li, S.-L.; Zhou, L.-P.
ReferenceIC&volume=106&fpage=457&details=yes target=icsd_help>J. Phys. Chem. B (2002) 106, 457-458
Link XRef SCOPUS Google
CompoundH2.8 Al12 In10.2 O48 S1.4 Si12 - [Zeolite A] Indium hydrogen sulfide tecto-dodecaalumododecasilicate (10.2/2.8/1.4/1) [A2B7C24NXY48] [cP86] [n m l2 k i h g4 f a] []
Cell12.094(2), 12.094(2), 12.094(2), 90, 90, 90
PM3-M (221) V=1768.93
RemarksR=0.065000 : M =Zeolite A : =In : T =294 : D
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.

Atom (site) Oxid. x, y, z, B, Occupancy
Si1(24k)4
Al1(24k)3
O1(12h)-2
O2(12i)-2
O3(24m)-2
In1(8g)1
In2(8g)2
In3(8g)1
In4(48n)1
In5(24l)1
In6(1a)0
In7(8g)1
S1(6f)-2
S2(24l)-2
H1(48*)1
0.0.180.3600.5
0.0.180.3600.5
0.0.200.501
0.0.300.3001
0.110.110.3201
0.250.250.250.030.42
0.130.130.130.000.3
0.100.100.100.010.1
0.020.430.470.100.03
0.030.420.50.050.04
0.0.0.0.010.6
0.370.370.370.200.05
0.290.50.50.300.16
0.130.440.50.060.01
00.05
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Si1(24k)4
Al1(24k)3
O1(12h)-2
O2(12i)-2
O3(24m)-2
In1(8g)1
In2(8g)2
In3(8g)1
In4(48n)1
In5(24l)1
In6(1a)0
In7(8g)1
S1(6f)-2
S2(24l)-2
H1(48*)1
0.010.010.000.0.0.00
0.010.010.000.0.0.00
0.100.040.010.0.0.
0.030.010.010.0.0.00
0.030.030.040.01-0.0-0.0
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000

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