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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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TitleStructure of a cyclopropane sorption complex of dehydrated fully Cd(2+)-exchanged zeolite A.
AuthorsChoi, E.Y.;Kim, Y.;Seff, K.
ReferenceMicroporous and Mesoporous Materials (2000) 41, 61-68
Link XRef SCOPUS Google
CompoundC12 H24 Al12 Cd6 O48 Si12 - [Zeolite A] Hexacadmium tecto-dodecaalumododecasilicate - cyclopropane (1/4) [AB4N2O4X8] [cP114] [n m k i h g2] []
Cell12.221(2), 12.221(2), 12.221(2), 90., 90., 90.
PM3-M (221) V=1825.24
RemarksR=0.050000 : M =Zeolite A : T =294 : D
At least one temperature factor missing 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
Cd1(8g)2
Cd2(8g)2
C1(48n)0
H1(48n)0
H2(48n)0
00.180.3600.5
00.180.3600.5
00.200.501
00.290.2901
0.110.110.3201
0.200.200.2000.5
0.150.150.1500.25
0.290.350.370.200.25
0.300.400.4500.25
0.210.320.3600.25
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Si1(24k)4
Al1(24k)3
O1(12h)-2
O2(12i)-2
O3(24m)-2
Cd1(8g)2
Cd2(8g)2
C1(48n)0
H1(48n)0
H2(48n)0
0.010.010.01000.00
0.010.010.01000.00
0.060.020.01000
0.040.020.02000.01
0.020.020.030.00-.00-.00
0.040.040.040.020.020.02
0.010.010.010.000.000.00
000000
000000
000000

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