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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=78111 Help
TitleA mixed valent titanium diphosphate with an intersecting tunnel structure K0./58TiP2O7.
AuthorsLeclaire, A.;Chardon, J.;Borel, M.M.;Raveau, B.
ReferenceIC&volume=109&fpage=83&details=yes target=icsd_help>Journal of Solid State Chemistry (1994) 109, 83-87
Link XRef SCOPUS Google
CompoundK0.58 O7 P2 Ti1 - Potassium titanium diphosphate (0.58/1/1) [AB2C4X14] [mS84] [f11 e] []
Cell17.8520(20), 6.298(1), 12.181(2), 90., 119.73(1), 90.
C12/C1 (15) V=1189.27
RemarksR=0.052200 : T =294 : D

Atom (site) Oxid. x, y, z, B, Occupancy
Ti1(8f)3.42
P1(8f)5
P2(8f)5
K1(8f)1
K2(4e)1
O1(8f)-2
O2(8f)-2
O3(8f)-2
O4(8f)-2
O5(8f)-2
O6(8f)-2
O7(8f)-2
0.360.100.280.531
0.410.110.040.541
0.150.110.160.561
0.270.330.506.1(0.5
00.110.254.9(0.08
0.240.110.181.7(1
0.35-.210.250.9(1
0.360.140.111.2(1
0.490.060.360.9(1
0.370.400.311.3(1
0.360.050.441.0(1
0.090.160.021.0(1

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