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ICSD for WWW : Details

ICSD for WWW

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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=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 SCIRUS 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 : DEF MIN =Nasicon low : NDP PDF =36-350 : TEM =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
0.1029(4)0.2537(8)0.0585(5)00.837
0.1029(4)0.2537(8)0.0585(5)00.163
00.0394(13)0.2500.3
00.0394(13)0.2500.7
0.3596(5)0.1086(9)0.2643(8)00.432
0.3596(5)0.1086(9)0.2643(8)00.568
0.1451(4)0.4362(6)0.2168(7)01
0.4356(4)0.4472(8)0.0788(6)01
0.2527(4)0.1825(8)0.2103(7)01
0.3847(4)0.1385(7)0.1199(7)01
0.4469(5)0.1840(7)0.4380(6)01
0.0794(4)0.1424(7)0.2397(7)01
0.250.250.500.265
0.50.9019(13)0.2501
0.8180(13)0.1230(27)0.9316(28)00.804
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
0.000540.000520.00364-.000950.00061-.00136
0.000540.000520.00364-.000950.00061-.00136
0.00280.00260.0017700.002550
0.00280.00260.0017700.002550
0.000450.001270.001390.00040.00070.0015
0.000450.001270.001390.00040.00070.0015
0.001020.003410.009650.002270.002180.00541
0.000970.006770.00314-.00264-.00057-.00496
0.002350.002990.0092-.000130.00349-.00101
0.002360.004850.004710.00220.001860.00177
0.00250.004480.0018-.001060.00146-.00081
0.000940.003280.00784-.001150.0017-.00098
0.042160.052720.011160.05218-.01085-.01985
0.003130.000320.0162800.005490
0.000720.030460.02345-.00572-.003140.00092

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