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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***.
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TitleTernaere Halogenide vom Typ A3 M X6. IX Kristallstrukturen von Na3 Ti Cl6 und K3 Ti Cl6.
AuthorsHinz, D.;Gloger, T.;Meyer, G.
ReferenceZeitschrift fuer Anorganische und Allgemeine Chemie (2000) 626, 822-824
Link XRef SCOPUS Google
CompoundCl6 Na3 Ti1 - Trisodium hexachlorotitanate(III) [AB3X6] [mP20] [e4 b a] []
Cell6.6802(8), 7.0913(6), 9.8138(12), 90., 90.31(2), 90.
P121/N1 (14) V=464.89
RemarksR=0.036200 :

Atom (site) Oxid. x, y, z, B, Occupancy
Ti1(2a)3
Cl1(4e)-1
Cl2(4e)-1
Cl3(4e)-1
Na1(2b)1
Na2(4e)1
00001
0.12816(6)0.04957(6)0.23039(4)01
0.70133(6)0.17474(6)0.06015(4)01
0.16136(6)0.29132(6)0.93057(4)01
0.50.5001
0.97443(12)0.42021(12)0.25398(9)01
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ti1(2a)3
Cl1(4e)-1
Cl2(4e)-1
Cl3(4e)-1
Na1(2b)1
Na2(4e)1
0.0224(2)0.0194(2)0.0202(2)0.00016(13)0.00071(13)-.00012(12)
0.0368(2)0.0360(2)0.0229(2)0.0033(2)-.00435(14)-.00259(14)
0.0302(2)0.0321(2)0.0382(2)0.00922(15)0.0061(2)0.0029(2)
0.0347(2)0.0268(2)0.0406(2)-.00752(15)-.0019(2)0.00732(15)
0.0362(5)0.0303(5)0.0350(5)0.0031(4)-.0032(4)-.0033(4)
0.0461(5)0.0374(4)0.0639(5)0.0051(3)0.0024(4)-.0009(4)

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