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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=43166 Help
TitleSynthesis, crystal structure, and electronic structure of Cs Cu Fe S2.
AuthorsLlanos, J.;Valenzuela, P.;Mujica, C.;Buljan, A.;Ramirez, R.
ReferenceIC&volume=122&fpage=31&details=yes target=icsd_help>Journal of Solid State Chemistry (1996) 122, 31-35
Link XRef SCOPUS Google
CompoundCs1 Cu1 Fe1 S2 - Caesium copper(I) iron sulfide [AB2X2] [tI10] [e d a] []
Cell3.942(1), 3.942(1), 14.238(9), 90., 90., 90.
I4/MMM (139) V=221.25
RemarksR=0.054000 :

Atom (site) Oxid. x, y, z, B, Occupancy
Cs1(2a)1
Cu1(4d)1
Fe1(4d)2
S1(4e)-2
00001
00.50.2500.5
00.50.2500.5
000.3401
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Cs1(2a)1
Cu1(4d)1
Fe1(4d)2
S1(4e)-2
0.020.020.03000
0.010.010.03000
0.010.010.03000
0.010.010.03000

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