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=68131 Help
TitleStudies of model zeolitic catalysts: Determination of the site of adsorption of methyl chloride sorbed in zeolite rho by powder X-ray diffraction.
AuthorsGameson, I.;Rayment, T.;Thomas, J.M.;Wright, P.A.
ReferenceIC&volume=92&fpage=988&details=yes target=icsd_help>Journal of Physical Chemistry (1988) 92, 988-991
Link XRef SCOPUS Google
CompoundC2 H14.4 Al11.19 Cl2 Cs0.42 O100.2 Si39.41 - [Zeolite Rho] Caesium aluminium tecto-alumosilicate hydrate methyl chloride * [] [cI170] [k j i h f2 e b] []
Cell15.039(1), 15.039(1), 15.039(1), 90., 90., 90.
IM3-M (229) V=3401.39
RemarksR=0.171000 : D M =Zeolite Rho : =H : P =39-1366 : T =210 : X
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
At least one temperature factor missing in the paper.
Deviation of the charge sum from zero tolerable.

Atom (site) Oxid. x, y, z, B, Occupancy
Al1(48i)3
Si1(48i)4
O1(48k)-2
O2(48j)-2
Cs1(6b)1
Al2(6b)3
O3(12e)-2
O4(24h)-2
Cl1(16f)-1
C1(16f)4
H1(12e)1
H2(12e)-1
0.250.100.391.0.17
0.250.100.391.0.82
0.160.160.371.1
00.210.401.1
0.50020.(0.07
0.50020.(0.43
0.40020.(0.33
0.250.250.520.(0.00
0.390.390.3900.12
0.500.500.5000.12
00.7
00.5

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).