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1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=86204 Help
TitlePartial structures of fully dehydrated Ni30 Na7 Cl12 Si137 Al55 O384 (solid-state nickel(II)-exchanged zeolite Y) and of its D2 O sorption complex by pulsed-neutron diffraction.
AuthorsHaniffa, R.M.;Seff, K.
ReferenceIC&volume=102&fpage=268&details=yes target=icsd_help>J. Phys. Chem. B (1998) 102, 268-269
Link XRef SCOPUS Google
CompoundAl55 Cl12 Na7 Ni30 O384 Si137 - [Zeolite Y] Nickel sodium tecto-alumosilicate chloride * [] [cF625] [i h g4 e3 c] []
Cell24.47565(27), 24.47565(27), 24.47565(27), 90., 90., 90.
FD3-MZ (227) V=14662.32
RemarksR=0.021000 : M =Zeolite Y : N T =15 : 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(192i)4
Al1(192i)3
O1(96h)-2
O2(96g)-2
O3(96g)-2
O4(96g)-2
Ni1(16c)2
Ni2(32e)2
Ni3(32e)2
Ni4(32e)2
Cl1(96g)-1
Na1(192i)1
0.940.030.120.000.71
0.940.030.120.000.28
0.890.10001
0.990.990.1401
0.170.170.9701
0.170.170.3201
0000.020.25
0.050.050.050.020.37
0.070.070.070.020.18
0.200.200.200.020.25
0.150.150.180.020.12
00.03
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
Ni1(16c)2
Ni2(32e)2
Ni3(32e)2
Ni4(32e)2
Cl1(96g)-1
Na1(192i)1
000000
000000
0.020.020.010.00-.02-.02
0.040.040.040.030.000.00
0.040.040.05-.00-.02-.02
0.020.020.050.02-.04-.04
000000
000000
000000
000000
000000
000000

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