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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=40178 Help
TitleStructure determination of A2 Na Al3 F12 (A= K, Na).
AuthorsLeBail, A.; Gao, Y.; Fourquet, J.L.; Jacoboni, C.
ReferenceMaterials Research Bulletin (1990) 25, 831-839
Link XRef SCOPUS Google
CompoundAl3 F12 K2 Na1 - Dipotassium sodium tris(tetrafluoroaluminate) [AB2C3X12] [mP36] [f4 e8 d c] []
Cell11.882(7), 6.983(4), 6.942(4), 90., 125.59(3), 90.
P121/M1 (11) V=468.4
RemarksR=0.038000 : P =44-575 : T
Calculated density unusual but tolerable.
Reduced cell has a'=9.662(5), beta'=90.15(3), P21/m
Pseudo-hexagonal
PDF 44-575, 88-1587

Atom (site) Oxid. x, y, z, B, Occupancy
K1(2e)1
K2(2e)1
Na1(2e)1
Al1(2d)3
Al2(2c)3
Al3(2e)3
F1(2e)-1
F2(2e)-1
F3(2e)-1
F4(2e)-1
F5(4f)-1
F6(4f)-1
F7(4f)-1
F8(4f)-1
0.890.250.9001
0.350.750.8901
0.240.250.0301
0.50.50.501
000.501
0.280.250.5801
0.490.250.4101
0.370.250.8901
0.050.750.5801
0.820.750.7101
0.650.040.7801
0.390.060.6001
0.940.950.2101
0.820.560.4001
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
K1(2e)1
K2(2e)1
Na1(2e)1
Al1(2d)3
Al2(2c)3
Al3(2e)3
F1(2e)-1
F2(2e)-1
F3(2e)-1
F4(2e)-1
F5(4f)-1
F6(4f)-1
F7(4f)-1
F8(4f)-1
0.020.020.02000.01
0.010.030.02000.00
0.010.010.01000.00
0.000.000.00-.000.000.00
0.000.000.00-.000.000.00
0.000.000.00000.00
0.010.000.01000.00
0.010.020.00000.00
0.010.000.01000.00
0.010.020.00000.00
0.010.010.01-.000.00-.00
0.010.010.010.000.010.00
0.010.010.01-.000.00-.00
0.000.010.020.000.00-.00

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