ICSD for WWW

Details of the selected entries


1 entry selected.
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=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

Demo database


Copying or publishing either the ICSD data or software without written permission is illegal.
The ICSD database is copyright © 2018 by Fachinformationszentrum (FIZ) Karlsruhe
The PHP-mySQL WWW interface is copyright © 2003-2015 by Peter Hewat
The 3D crystal structure visualisation software, xtal-3d is copyright © 1994-2015 by Marcus Hewat
The PHP-JMOL drawing software is copyright © 2006-2015 by Alan Hewat
Please report technical problems with ICSD for WWW to alan.hewat[a]neutronoptics.com (Alan Hewat).