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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=99655 Help
TitlePhase stability and non-stoichiometry in M-phase solid solutions in the system Li O0.5 - Nb O2.5 - Ti O2.
AuthorsGrey, I.E.; Bordet, P.; Li, C.; Roth, R.S.
ReferenceIC&volume=177&fpage=660&details=yes target=icsd_help>Journal of Solid State Chemistry (2004) 177, 660-669
Link XRef SCOPUS Google
CompoundLi6.996 Nb2.082 O21 Ti5.91 - Lithium niobium titanium oxide (7/2.08/5.91/21) [A7B8X21] [hP72] [g3 f d5 c3] []
Cell5.1018(1), 5.1018(1), 32.554(1), 90, 90, 120
P3-C1 (165) V=733.81
RemarksR=0.105000 : X
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
Deviation of the charge sum from zero tolerable.

Atom (site) Oxid. x, y, z, B, Occupancy
Ti1(4d)4
Ti2(4d)4
Nb1(4d)5
Ti3(4c)4
Nb2(4c)5
Ti4(4d)4
Nb3(4d)5
Li1(4c)1
Li2(4d)1
Li3(4d)1
Li4(4c)1
O1(12g)-2
O2(12g)-2
O3(12g)-2
O4(6f)-2
0.330.66-.000.661
0.330.660.080.660.73
0.330.660.080.660.26
0.0.0.140.660.58
0.0.0.140.660.41
0.660.330.210.660.63
0.660.330.210.660.36
0.0.0.050.081
0.660.330.120.081
0.330.660.200.081
0.0.0.260.080.5
0.020.390.030.541
0.290.330.100.541
-.040.290.170.541
0.620.0.250.541

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