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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=202336 Help
TitleThe titanium-sulphur system: structures of Ti6.9 S9 (18H) and Ti8.2 S11 (33R) and the unit cells of 45R and 57R types of titanium sulphide.
AuthorsOnoda, M.;Wada, H.
ReferenceJournal of the Less-Common Metals (1987) 132, 195-207
Link XRef SCOPUS SCIRUS Google
CompoundS11 Ti8.2 - Titanium sulfide (8.2/11) [A25X33] [hR19] [c10 b a] []
Cell3.4342(3), 3.4342(3), 94.610(10), 90., 90., 120.
R3-MH (166) V=966.32
RemarksR=0.064000 : POL =33R : DEF
The lattice Parameters are unusual but agree with the paper.

Atom (site) Oxid. x, y, z, B, Occupancy
Ti1(3a)2.68
Ti2(6c)2.68
Ti3(6c)2.68
Ti4(6c)2.68
Ti5(6c)2.68
Ti6(6c)2.68
S1(6c)-2
S2(6c)-2
S3(6c)-2
S4(6c)-2
S5(6c)-2
S6(3b)-2
0000.9(2)1
000.0312(9)0.9(2)0.44(4)
000.2730(4)0.9(2)1
000.2433(7)0.9(2)0.52(4)
000.1195(4)0.9(2)0.93(5)
000.1537(4)0.9(2)0.70(4)
000.3182(5)0.9(2)1
000.3804(5)0.9(2)1
000.0751(4)0.9(2)1
000.4378(6)0.9(2)1
000.1982(6)0.9(2)1
000.50.9(2)1

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