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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=69555 Help
TitleStucture of beta-TlMo2P3O13.
AuthorsCostentin, G.;Borel, M.M.;Grandin, A.;Leclaire, A.;Raveau, B.
ReferenceIC&volume=47&fpage=113&details=yes target=icsd_help>Acta Crystallographica C (1991) 47, 113-113
Link XRef SCOPUS Google
CompoundMo2 O13 P3 Tl1 - Thallium dimolybdo(V)phosphatediphosphate - beta [AB2C3X13] [mP76] [e20] []
Cell9.7536(3), 19.0640(16), 6.3945(7), 90., 107.099(7), 90.
P121/C1 (14) V=1136.45
RemarksR=0.047000 : D
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.

Atom (site) Oxid. x, y, z, B, Occupancy
Mo1(4e)5
Mo2(4e)5
P1(4e)5
P2(4e)5
P3(4e)5
Tl1(4e)1
Tl2(4e)1
O1(4e)-2
O2(4e)-2
O3(4e)-2
O4(4e)-2
O5(4e)-2
O6(4e)-2
O7(4e)-2
O8(4e)-2
O9(4e)-2
O10(4e)-2
O11(4e)-2
O12(4e)-2
O13(4e)-2
0.060.160.3801
0.610.370.1801
0.290.580.2601
0.300.460.0001
-.030.320.3401
0.020.00-.0100.5
0.350.150.0400.5
0.210.200.451.1(1
0.060.150.071.6(1
0.050.150.690.9(1
0.150.060.420.8(1
-.060.240.320.8(1
-.130.100.281.1(1
0.570.290.181.2(1
0.620.370.871.4(1
0.620.390.491.2(1
0.830.360.291.4(1
0.410.400.070.6(1
0.660.480.151.1(1
0.300.500.220.7(1
Atom (site) Oxid. Beta11, Beta22, Beta33, Beta12, Beta13, Beta23
Mo1(4e)5
Mo2(4e)5
P1(4e)5
P2(4e)5
P3(4e)5
Tl1(4e)1
Tl2(4e)1
O1(4e)-2
O2(4e)-2
O3(4e)-2
O4(4e)-2
O5(4e)-2
O6(4e)-2
O7(4e)-2
O8(4e)-2
O9(4e)-2
O10(4e)-2
O11(4e)-2
O12(4e)-2
O13(4e)-2
0.000.000.00-.000.00-.00
0.000.000.000.000.000.00
0.000.000.00-.000.00-.00
0.000.000.000.00-.00-.00
0.000.000.000.000.00-.00
0.020.000.020.00-.01-.00
0.000.000.020.000.000.00
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