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1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=61384 Help
TitleThe crystal structure of a nonstoichiometric Nasicon.
AuthorsRudolf, P.R.; Subramanian, M.A.; Clearfield, A.; Jorgensen, J.D.
ReferenceMaterials Research Bulletin (1985) 20, 643-651
Link XRef SCOPUS Google
CompoundNa3.2 O11.54 P1.16 Si1.84 Zr1.68 - [Nasicon low] Sodium zirconium silicophosphate(V) * [A8B11C12X48] [mS79] [f9 e2 d] []
Cell15.6209(8), 9.0326(5), 9.2172(5), 90., 123.673(6), 90.
C12/C1 (15) V=1082.32
RemarksR=0.028500 : D M =Nasicon low : P =36-350 : T =295 :
Difference between the formula calculated from the PARM record and the FORM record tolerable.
Deviation of the charge sum from zero tolerable.
Calculated density unusual but tolerable.
Cell from x-rays: 15.604, 9.013, 9.211, 123.68, R(Bragg)=0.066
Cell in I12/c1-setting: a'=13.008, beta'=92.05
PDF 36-350

Atom (site) Oxid. x, y, z, B, Occupancy
Zr1(8f)4
Na4(8f)1
P1(4e)5
Si1(4e)4
P2(8f)5
Si2(8f)4
O1(8f)-2
O2(8f)-2
O3(8f)-2
O4(8f)-2
O5(8f)-2
O6(8f)-2
Na1(4d)1
Na2(4e)1
Na3(8f)1
0.100.250.0500.83
0.100.250.0500.16
00.030.2500.3
00.030.2500.7
0.350.100.2600.43
0.350.100.2600.56
0.140.430.2101
0.430.440.0701
0.250.180.2101
0.380.130.1101
0.440.180.4301
0.070.140.2301
0.250.250.500.26
0.50.900.2501
0.810.120.9300.80
Atom (site) Oxid. Beta11, Beta22, Beta33, Beta12, Beta13, Beta23
Zr1(8f)4
Na4(8f)1
P1(4e)5
Si1(4e)4
P2(8f)5
Si2(8f)4
O1(8f)-2
O2(8f)-2
O3(8f)-2
O4(8f)-2
O5(8f)-2
O6(8f)-2
Na1(4d)1
Na2(4e)1
Na3(8f)1
0.000.000.00-.000.00-.00
0.000.000.00-.000.00-.00
0.000.000.0000.000
0.000.000.0000.000
0.000.000.000.000.000.00
0.000.000.000.000.000.00
0.000.000.000.000.000.00
0.000.000.00-.00-.00-.00
0.000.000.00-.000.00-.00
0.000.000.000.000.000.00
0.000.000.00-.000.00-.00
0.000.000.00-.000.00-.00
0.040.050.010.05-.01-.01
0.000.000.0100.000
0.000.030.02-.00-.000.00

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