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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=99438 Help
TitleThe crystal structure of a bismuth - transition metal phosphate Bi6 Ti P2 O16.
AuthorsSteinfink, H.; Lynch, V.
ReferenceJournal of Solid State Chemistry (2004) 177, 1412-1415
Link XRef SCOPUS SCIRUS Google
CompoundBi6.154 O16 P2 Ti0.846 - Bismuth titanium oxide phosphate(V) (6.15/0.85/8/2) [AB2C6X16] [mS50] [c11 b2 a] []
Cell11.233(2), 5.4096(11), 11.233(2), 90, 95.13(3), 90
I121 (5) V=679.85
RemarksR=0.051400 :

Atom (site) Oxid. x, y, z, B, Occupancy
Bi1(4c)3.025
Bi2(4c)3.025
Bi3(4c)3.025
Ti1(2a)4
Bi4(2a)3.025
P1(4c)5
O1(2b)-2
O2(2b)-2
O3(4c)-2
O4(4c)-2
O5(4c)-2
O6(4c)-2
O7(4c)-2
O8(4c)-2
O9(4c)-2
0.3313(2)-0.0320(7)0.0086(2)0.013(1)1
0.8260(2)0.5103(1)0.8380(2)0.010(1)1
0.0107(2)-0.0306(7)0.6625(2)0.014(1)1
0.-0.0386(17)0.0.010(2)0.846(8)
0.-0.0386(17)0.0.010(2)0.154(8)
0.1326(14)0.4560(30)0.8585(13)0.019(3)1
0.0.731(9)0.50.005(3)1
0.0.227(9)0.50.005(3)1
0.152(3)0.217(8)0.329(3)0.005(3)1
0.350(3)0.218(8)0.174(3)0.005(3)1
0.257(2)0.452(7)-0.071(2)0.011(5)1
0.635(4)-0.070(12)0.228(3)0.040(9)1
0.067(4)0.214(9)0.894(3)0.031(9)1
0.859(3)-0.083(8)-0.090(2)0.022(7)1
-0.060(3)0.675(7)0.112(3)0.018(8)1

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