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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=202136 Help
TitleRietveld refinement results on three nonstoichiometric monoclinic NASICONs.
AuthorsRudolf, P.R.;Clearfield, A.;Jorgensen, J.D.
ReferenceIC&volume=21&fpage=213&details=yes target=icsd_help>Solid State Ionics (1986) 21, 213-224
Link XRef SCOPUS Google
CompoundNa3.17 O12 P1.1 Si1.9 Zr1.93 - [Nasicon low] Sodium zirconium silicon phosphorus oxide (3.17/1.93/1.9/1.1/12) [A8B12C13X48] [mS80] [f9 e2 d] []
Cell15.6451(4), 9.0491(2), 9.2151(2), 90., 123.724(3), 90.
C12/C1 (15) V=1085.08
RemarksR=0.053900 : M =Nasicon low : P =35-412 : D
PDF 35-412, sample AI-NAS-I

Atom (site) Oxid. x, y, z, B, Occupancy
Zr1(8f)4
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
0.100.240.050.860.96
00.040.251.010.49
00.040.251.010.51
0.350.100.260.690.30
0.350.100.260.690.70
0.140.430.221.051
0.430.440.071.411
0.250.180.201.231
0.380.130.111.701
0.440.180.432.061
0.080.140.241.041
0.250.250.500.27
0.50.890.2501
0.800.120.9100.95
Atom (site) Oxid. Beta11, Beta22, Beta33, Beta12, Beta13, Beta23
Zr1(8f)4
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
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000
000000
0.000.010.04-.000.00-.01
0.000.000.0200.000
0.020.020.04-.000.000.00

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