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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=97841 Help
TitleCation exchange, dehydration and calcination in clinoptilolite: in situ X-ray diffraction and computer modelling.
AuthorsJohnson, M.; O'Connor, D.; Barnes, P.; Catlow, C.R.A.; Owens, S.L.; Sankar, G.; Bell, R.; Teat, S.J.; Stephenson, R.
ReferenceIC&volume=107&fpage=942&details=yes target=icsd_help>J. Phys. Chem. B (2003) 107, 942-951
Link XRef SCOPUS Google
CompoundAl6 Na6 O72 Si30 - [Clinoptilolite] Hexasodium tecto-hexaalumotriacontasilicate [A3B4C14X36] [mS114] [j12 i3 h g2 d] []
Cell16.945(13), 16.876(13), 7.369(6), 90, 114.898(12), 90
C12/M1 (12) V=1911.42
RemarksR=0.043000 : M =Clinoptilolite : S T =473 : D

Atom (site) Oxid. x, y, z, B, Occupancy
Si1(8j)4
Al1(8j)3
Si2(8j)4
Si3(8j)4
Si4(8j)4
Si5(4h)4
O1(4i)-2
O2(8j)-2
O3(8j)-2
O4(8j)-2
O5(8j)-2
O6(4g)-2
O7(8j)-2
O8(8j)-2
O9(8j)-2
O10(8j)-2
Na1(4i)1
Na2(4g)1
Na3(2d)1
Na4(4i)1
0.320.400.630.010.25
0.320.400.630.010.75
0.420.260.780.021
0.260.170.770.021
0.180.340.770.021
0.0.310.50.021
0.360.50.670.031
0.400.350.770.041
0.200.110.600.031
0.230.400.690.041
0.340.200.730.041
0.50.230.0.071
0.460.240.620.051
0.190.250.760.031
0.290.13-0.00.031
0.070.360.640.031
0.230.0.850.090.69
0.50.460.0.090.44
0.0.50.50.100.48
0.100.50.530.050.12

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