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=94779 Help
TitleStructural characterization of the redox behavior in copper-exchanged sodium zeolite Y by high-resolution powder neutron diffraction.
AuthorsFowkes, A.J.;Ibberson, R.M.;Rosseinsky, M.J.
ReferenceIC&volume=14&fpage=590&details=yes target=icsd_help>Chemistry of Materials (2002) 14, 590-602
Link XRef SCOPUS Google
CompoundH2 Al64 Na62 O384 Si128 - [Zeolite NaY] Sodium hydrogen tecto-alumosilicate * [] [cF640] [i h g3 e2 c] []
Cell24.79350(7), 24.79350(7), 24.79350(7), 90, 90, 90
FD3-MZ (227) V=15241.
RemarksR=0.027500 : M =Zeolite NaY : T =298 : D
A site occupation is implausible or meaningless but agrees with the paper.

Atom (site) Oxid. x, y, z, B, Occupancy
Si1(192i)4
Al1(192i)3
O1(96h)-2
O2(96g)-2
O3(96g)-2
O4(96g)-2
Na1(16c)1
Na2(32e)1
Na3(32e)1
Na4(192*)1
H1(192*)1
0.030.300.1200.66
0.030.300.1200.33
0.0.890.1001
0.000.850.0001
0.07-.030.0701
0.070.310.0701
0.0.0.0.040.63
0.050.050.050.040.28
0.230.230.230.041.00
00.05
00.01
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Si1(192i)4
Al1(192i)3
O1(96h)-2
O2(96g)-2
O3(96g)-2
O4(96g)-2
Na1(16c)1
Na2(32e)1
Na3(32e)1
Na4(192*)1
H1(192*)1
0.010.020.01-0.0-0.0-0.0
0.010.020.01-0.0-0.0-0.0
0.020.020.02-0.0-0.0-0.0
0.020.030.020.000.00-0.0
0.020.030.020.000.010.00
0.030.030.030.000.010.00
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).