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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=78094 Help
TitleNew cluster phases A(I)Zr6Cl14Mn and Zr6Cl14Fe: A second structure type with small cations.
AuthorsZhang, J.;Corbett, J.D.
ReferenceJournal of Solid State Chemistry (1994) 109, 265-271
Link XRef SCOPUS SCIRUS Google
CompoundCl14 Li1 Mn1 Zr6 - Lithium manganese zirconium chloride (1/1/6/14) [ABC6X14] [oS88] [g4 f2 e d b] []
Cell14.507(2), 12.858(2), 11.786(2), 90., 90., 90.
CMCA (64) V=2198.45
RemarksR=0.053000 : DEF
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
Zr1(16g)1.83
Zr2(8f)1.83
Cl1(16g)-1
Cl2(16g)-1
Cl3(8e)-1
Cl4(8f)-1
Cl5(8d)-1
Mn1(4b)2
Li1(16g)1
0.38093(5)0.07327(5)0.88124(6)1.38(1)1
00.34636(8)0.888011.40(2)1
0.1234(1)0.0870(1)0.2503(2)1.83(3)1
0.1239(1)0.2557(2)0.0063(2)1.81(3)1
0.250.3411(2)0.251.99(5)1
00.1576(2)0.7600(2)1.90(5)1
0.2491(2)001.79(4)1
000.51.81(4)1
0.251(4)0.676(4)0.153(5)1.9(8)0.252(2)

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