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ICSD for WWW : Details

ICSD for WWW

Details of the selected entries


1 entry selected.
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=90958 Help
TitleNew M3 O5 - anatase intergrowth structures formed during low-temperature oxidation of anosovite.
AuthorsGrey, I.E.;Cranswick, L.M.D.;Li, C.;White, T.J.;Bursill, L.A.
ReferenceJournal of Solid State Chemistry (2000) 150, 128-138
Link XRef SCOPUS SCIRUS Google
CompoundO11 Ti6 - Titanium oxide (6/11) [A6X11] [mS68] [i17] []
Cell9.946(2), 3.744(2), 20.9940(30), 90., 93.30(1), 90.
C12/M1 (12) V=780.47
RemarksR=0.070000 : RVP XDP
At least one temperature factor missing in the paper.
The coordinates given in the paper contain an error. The values in the database have been corrected.
Stable above 147 K
R(Bragg)=0.07
z(O2) was misprinted as .328, correct in figure

Atom (site) Oxid. x, y, z, B, Occupancy
Ti1(4i)3.667
Ti2(4i)3.667
Ti3(4i)3.667
Ti4(4i)3.667
Ti5(4i)3.667
Ti6(4i)3.667
O1(4i)-2
O2(4i)-2
O3(4i)-2
O4(4i)-2
O5(4i)-2
O6(4i)-2
O7(4i)-2
O8(4i)-2
O9(4i)-2
O10(4i)-2
O11(4i)-2
0.209(1)00.1092(7)01
0.230(1)00.2878(7)01
0.957(1)00.3567(6)01
0.144(1)00.4714(7)01
0.107(1)00.7951(6)01
0.074(1)00.9441(6)01
0.381(5)00.054(2)01
0.115(4)00.033(2)01
0.303(3)00.211(2)01
0.030(4)00.143(2)01
0.054(4)00.273(2)01
0.436(5)00.367(2)01
0.166(5)00.386(2)01
0.334(4)00.505(2)01
0.062(5)00.558(2)01
0.204(5)00.708(2)01
0.220(4)00.873(2)01

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