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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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TitleA combined time-of-flight powder neutron and powder X-ray diffraction study of ternary chromium sulfides, Vx Cr3-x S4 (0
AuthorsColgan, D.C.;Powell, A.V.
ReferenceJournal of Materials Chemistry (1996) 6, 1579-1584
Link XRef SCOPUS Google
CompoundCr2.199 S4 V0.801 - Vanadium chromium sulfide (0.8/2.2/4) [AB2X4] [mS14] [i3 a] []
Cell5.9480(2), 3.3926(1), 11.2056(4), 90., 91.353(1), 90.
I12/M1 (12) V=226.06
RemarksR=0.013000 : NDP RVP XDP MXD =Cr :
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.
x-coordinate of S1 has been corrcted from 0.3697 into 0.3397

Atom (site) Oxid. x, y, z, B, Occupancy
Cr1(2a)2
V1(2a)2
Cr2(4i)3
V2(4i)3
S1(4i)-2
S2(4i)-2
0000.54(4)0.537(4)
0000.54(4)0.463(4)
-.0194(2)00.2584(1)0.57(2)0.831(2)
-.0194(2)00.2584(1)0.57(2)0.169(2)
0.3397(2)00.3652(1)0.22(2)1
0.3315(2)00.8805(1)0.38(1)1

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