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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=78157 Help
TitleSingle crystal structure, magnetic properties, and electronic structure of TlxCr5S8 (x=1.0 and 0.7).
AuthorsBensch, W.;Woerner, E.;Muhler, M.;Ruschewitz, U.
ReferenceIC&volume=110&fpage=234&details=yes target=icsd_help>Journal of Solid State Chemistry (1994) 110, 234-242
Link XRef SCOPUS Google
CompoundCr5 S8 Tl1 - Thallium pentachromium sulfide [AB5X8] [mS28] [i6 d a] []
Cell17.8030(40), 3.436(1), 8.589(3), 90., 104.65(3), 90.
C12/M1 (12) V=508.32
RemarksR=0.039500 : T =295 :
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
Tl1(2a)1
Cr1(2d)3
Cr2(4i)3
Cr3(4i)3
S1(4i)-2
S2(4i)-2
S3(4i)-2
S4(4i)-2
0000.041
00.50.50.001
0.7900.160.001
0.1500.480.001
0.660-.000.001
0.5800.320.011
0.2600.340.001
0.9200.340.001

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