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ICSD for WWW : Details

ICSD for WWW

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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=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.
ReferenceJ. Phys. Chem. B (1998) 102, 2688-2695
Link XRef SCOPUS SCIRUS 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 : MIN =Zeolite Y : NDP RVP TEM =15 : DEF
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
0.94673(17)0.03594(23)0.12476(18)0.0005(8)0.7135
0.94673(17)0.03594(23)0.12476(18)0.0005(8)0.2865
0.89717(17)0.10283(17)001
0.99988(22)0.99988(22)0.14420(23)01
0.17932(17)0.17932(17)0.97301(28)01
0.17425(21)0.17425(21)0.32122(28)01
0000.02850.25
0.05568(33)0.05568(33)0.05568(33)0.02850.375
0.07503(67)0.07503(67)0.07503(67)0.02850.1875
0.20864(42)0.20864(42)0.20864(42)0.02850.25
0.15231(55)0.15231(55)0.1818(11)0.02850.125
00.0365
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
0.022(2)0.022(2)0.012(3)0.000(3)-.025(2)-.025(2)
0.046(3)0.046(3)0.040(4)0.033(4)0.005(3)0.005(3)
0.047(3)0.047(3)0.050(5)-.006(3)-.023(2)-.023(2)
0.025(2)0.025(2)0.054(5)0.026(2)-.041(3)-.041(3)
000000
000000
000000
000000
000000
000000

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