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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=60674 Help
TitleSingle crystal structure refinement of TPA ZSM-5 zeolite.
AuthorsChao, K.-J.;Lin, J.-C.;Wang, Y.;Lee, G.H.
ReferenceZeolites (1986) 6, 35-38
Link XRef SCOPUS Google
CompoundC12 H28 Al0.9 N1 O48 Si23.1 - [Zeolite ZSM-5] Tetrapropylammonium tecto-alumosilicate * [] [oP452] [d37 c11] []
Cell20.0999(40), 19.959(4), 13.409(4), 90., 90., 90.
PNMA (62) V=5379.34
RemarksR=0.069000 : C M =Zeolite ZSM-5 : P =39-225 :
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
PDF 39-225, mean T-O: 1.567 - 1.619

Atom (site) Oxid. x, y, z, B, Occupancy
Si1(8d)0
Si2(8d)0
Si3(8d)0
Si4(8d)0
Si5(8d)0
Si6(8d)0
Si7(8d)0
Si8(8d)0
Si9(8d)0
Si10(8d)0
Si11(8d)0
Si12(8d)0
Al1(8d)0
Al2(8d)0
Al3(8d)0
Al4(8d)0
Al5(8d)0
Al6(8d)0
Al7(8d)0
Al8(8d)0
Al9(8d)0
Al10(8d)0
Al11(8d)0
Al12(8d)0
O1(8d)0
O2(8d)0
O3(8d)0
O4(8d)0
O5(8d)0
O6(8d)0
O7(8d)0
O8(8d)0
O9(8d)0
O10(8d)0
O11(8d)0
O12(8d)0
O13(8d)0
O14(8d)0
O15(8d)0
O16(8d)0
O17(8d)0
O18(4c)0
O19(4c)0
O20(8d)0
O21(8d)0
O22(8d)0
O23(4c)0
O24(4c)0
O25(8d)0
O26(8d)0
N1(4c)0
C1(4c)0
C2(4c)0
C3(4c)0
C4(8d)0
C5(8d)0
C6(8d)0
C7(4c)0
C8(4c)0
C9(4c)0
H1(8d)0
H2(8d)0
H3(4c)0
H4(8d)0
H5(8d)0
H6(8d)0
H7(8d)0
H8(8d)0
H9(8d)0
H10(8d)0
H11(8d)0
H12(8d)0
H13(8d)0
H14(4c)0
H15(8d)0
0.070.020.811.2(0.96
0.06-.130.811.3(0.96
0.120.061.021.3(0.96
-.120.170.971.3(0.96
0.270.061.031.4(0.96
0.220.170.531.5(0.96
-.07-.170.821.5(0.96
-.070.050.831.1(0.96
-.19-.120.681.4(0.96
-.190.020.681.6(0.96
0.18-.170.681.4(0.96
0.180.050.671.6(0.96
0.070.020.811.2(0.04
0.06-.130.811.3(0.04
0.120.061.021.3(0.04
-.120.170.971.3(0.04
0.270.061.031.4(0.04
0.220.170.531.5(0.04
-.07-.170.821.5(0.04
-.070.050.831.1(0.04
-.19-.120.681.4(0.04
-.190.020.681.6(0.04
0.18-.170.681.4(0.04
0.180.050.671.6(0.04
-.000.040.791.8(1
-.00-.150.792.2(1
0.07-.040.822.7(1
0.090.050.913.4(1
0.09-.160.913.0(1
0.090.131.062.0(1
-.09-.000.913.1(1
-.080.120.892.4(1
-.12-.150.732.9(1
-.120.050.742.7(1
0.24-.150.753.4(1
0.240.040.752.9(1
-.19-.040.684.9(1
0.190.150.432.7(1
-.190.050.582.4(1
0.200.051.023.7(1
-.190.150.972.3(1
-.110.250.922.4(1
0.210.250.550.7(1
0.19-.120.582.6(1
0.190.000.593.4(1
0.190.130.613.0(1
-.08-.250.852.9(1
0.18-.250.641.5(1
0.11-.150.732.2(1
0.110.050.722.3(1
0.470.250.907.101
0.390.250.8810.01
0.330.250.8312.51
0.270.250.8515.41
0.490.180.9419.11
0.480.150.9926.31
0.120.081.0310.01
0.500.250.7621.31
0.550.250.7714.51
0.590.250.667.101
0.380.290.926.301
0.330.290.806.301
0.240.250.796.301
0.270.200.886.301
0.540.200.966.301
0.510.150.886.301
0.500.181.076.301
0.430.151.026.301
0.550.091.036.301
0.480.050.986.301
0.490.081.106.301
0.480.290.766.301
0.570.290.806.301
0.570.250.596.301
0.610.200.676.301

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