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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=93687 Help
TitleSyntheses and crystal structures of the first bromofluorides in niobium cluster chemistry: Nb6 Br8 F7 and Na2 Nb F6 - (Nb6 Br4 F11).
AuthorsCordier, S.;Hernandez, O.;Perrin, C.
ReferenceIC&volume=158&fpage=327&details=yes target=icsd_help>Journal of Solid State Chemistry (2001) 158, 327-333
Link XRef SCOPUS Google
CompoundBr3.65 F17.35 Na1.87 Nb7 - Sodium niobium bromide fluoride (1.87/7/3.65/17.35) [AB2C6X4Y17] [cP30] [j2 h f e c a] []
Cell8.1765(6), 8.1765(6), 8.1765(6), 90, 90, 90
PM3-M (221) V=546.64
RemarksR=0.033000 : M =Nb : 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
Nb1(6f)2.5
Nb2(1a)4.13
F1(12j)-1
Br1(12j)-1
F2(3c)-1
F3(6e)-1
Na1(12h)1
0.740.50.50.021
0.0.0.0.111
0.750.50.750.040.69
0.800.50.800.050.30
0.0.50.50.101
0.0.0.770.271
0.080.50.0.080.15

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