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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=100104 Help
TitlePositions of cations and molecules in zeolithes with the chabazite framework I. Dehydrated Ca - exchanged chabazite.
AuthorsMortier, W.J.;Pluth, J.J.;Smith, J.V.
ReferenceMaterials Research Bulletin (1977) 12, 97-102
Link XRef SCOPUS Google
CompoundAl3.8 Ca1.9 O24 Si8.2 - [Chabazite] Calcium tecto-alumosilicate * [AB6X12] [hR38] [i h2 g f c a] []
Cell9.442(2), 9.442(2), 9.442(2), 93.09(1), 93.09(1), 93.09(1)
R3-MR (166) V=837.96
RemarksR=0.047000 : M =Chabazite : P =34-137 : D
Deviation of the charge sum from zero tolerable.
PDF 34-137 (trigonal setting)

Atom (site) Oxid. x, y, z, B, Occupancy
Ca1(1a)2
Ca2(2c)2
Si1(12i)4
O1(6f)-2
O2(6g)-2
O3(6h)-2
O4(6h)-2
Al1(12i)3
00000.10
0.150.150.1500.93
0.100.330.8600.68
0.260.73001
0.130.860.501
0.240.240.8901
0.010.010.2901
0.100.330.8600.31
Atom (site) Oxid. Beta11, Beta22, Beta33, Beta12, Beta13, Beta23
Ca1(1a)2
Ca2(2c)2
Si1(12i)4
O1(6f)-2
O2(6g)-2
O3(6h)-2
O4(6h)-2
Al1(12i)3
0.000.000.000.000.000.00
0.000.000.000.000.000.00
0.000.000.000.00-.00-.00
0.000.000.00-.00-.00-.00
0.010.010.00-.000.000.00
0.000.000.010.00-.00-.00
0.000.000.010.000.000.00
0.000.000.000.00-.00-.00

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