Chem Name Germanium Silicon Oxide (3.2/13.8/34)
Structured (Ge0.32 Si0.68)10 (Si7 O34)
Sum Ge3.2 O34 Si13.8
ANX AX2
Min Name Zeolite ITQ-26
D(calc) 1.63
Title Crystal structure of ITQ-26, a 3D framework with extra-large pores
Author(s) Dorset, D.L.;Strohmaier, K.G.;Kliewer, C.E.;Corma, A.;Diaz-Cabanas,
M.J.;Rey, F.;Gilmore, C.J.
Reference Chemistry of Materials (1,1989-
(2008), 20, 5325-5331
Unit Cell 26.7769(8) 26.7769(8) 13.2505(5) 90. 90. 90.
Vol 9500.64
Z 8
Space Group I 4/m m m
SG Number 139
Cryst Sys tetragonal
Pearson tI408
Wyckoff o6 n4 m4 l2 k j i h2 g
R Value .0702
Red Cell I 13.250 20.059 20.059 83.737 70.714 70.714 4750.32
Trans Red 0.000 0.000 1.000 / -0.500 -0.500 0.500 / 0.500 -0.500 0.500
Comments Compound with mineral name: Zeolite ITQ-26
Rietveld profile refinement applied
X-ray diffraction (powder)
Atom # OX SITE x y z SOF H
Ge 1 +4 32 o 0.0586(5) 0.3209(4) 0.1176(7) 0.32 0
Si 1 +4 32 o 0.0586(5) 0.3209(4) 0.1176(7) 0.68 0
Ge 2 +4 32 o 0.0584(4) 0.2043(4) 0.1179(6) 0.32 0
Si 2 +4 32 o 0.0584(4) 0.2043(4) 0.1179(6) 0.68 0
Ge 3 +4 16 m 0.0582(2) 0.0582(2) 0.3825(6) 0.32 0
Si 3 +4 16 m 0.0582(2) 0.0582(2) 0.3825(6) 0.68 0
Si 4 +4 16 m 0.1050(3) 0.1050(3) 0.1891(6) 1. 0
Si 5 +4 16 k 0.0884(3) 0.4116(3) 0.250 1. 0
Si 6 +4 8 h 0.0574(2) 0.0574(2) 0. 1. 0
Si 7 +4 16 n 0. 0.4427(2) 0.3837(4) 1. 0
O 1 -2 16 l 0.0629(2) 0.3410(9) 0. 1. 0
O 2 -2 16 n 0. 0.3194(1) 0.1550(3) 1. 0
O 3 -2 32 o 0.0791(7) 0.2625(3) 0.1238(2) 1. 0
O 4 -2 32 o 0.0876(4) 0.3568(3) 0.1983(1) 1. 0
O 5 -2 32 o 0.0948(4) 0.1645(3) 0.1785(1) 1. 0
O 6 -2 16 l 0.0571(2) 0.1849(1) 0. 1. 0
O 7 -2 16 n 0. 0.2020(1) 0.1599(2) 1. 0
O 8 -2 8 h 0.0726(7) 0.0726(7) 0.5 1. 0
O 9 -2 16 n 0. 0.0718(5) 0.3565(2) 1. 0
O 10 -2 16 m 0.0924(2) 0.0924(2) 0.3049(6) 1. 0
O 11 -2 16 m 0.0755(3) 0.0755(3) 0.1059(4) 1. 0
O 12 -2 32 o 0.0845(4) 0.4517(2) 0.1624(5) 1. 0
O 13 -2 8 i 0. 0.0711(6) 0. 1. 0
O 14 -2 8 g 0. 0.5 0.3529(4) 1. 0
O 15 -2 8 j 0. 0.4290(5) 0.5 1. 0
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