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ICSD for WWW : Details

ICSD for WWW

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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=51524 Help
TitleSynthese, Struktur und Eigenschaften der tantalreichen Silicidchalkogenide Ta15 Si2 Q(x) Te(10-x) (Q = S, Se).
AuthorsDebus, S.; Harbrecht, B.
ReferenceZeitschrift fuer Anorganische und Allgemeine Chemie (2001) 627, 431-438
Link XRef SCOPUS SCIRUS Google
CompoundS3.6 Si2 Ta15 Te6.4 - Tantalum silicide sulfide telluride (15/2/3.6/6.4) [] [mS54] [i13 a] []
Cell24.11(1), 3.514(1), 16.017(9), 90, 124.75(6), 90
C12/M1 (12) V=1114.98
RemarksR=0.122000 :
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.
Cell in I12/m1-setting: a'= 19.94, beta'= 96.54

Atom (site) Oxid. x, y, z, B, Occupancy
Ta1(2a)0
Ta2(4i)0
Ta3(4i)0
Ta4(4i)0
Ta5(4i)0
Ta6(4i)0
Ta7(4i)0
Ta8(4i)0
Te1(4i)0
Te2(4i)0
Te3(4i)0
Te4(4i)0
S1(4i)0
S2(4i)0
S3(4i)0
S4(4i)0
S5(4i)0
Si1(4i)0
0.00.00.00.032(3)1
0.4365(5)0.00.8211(8)0.036(3)1
0.4037(5)0.00.0054(8)0.038(2)1
0.4583(5)0.00.2419(8)0.036(3)1
0.0718(5)0.00.3422(8)0.035(3)1
0.1561(5)0.00.9000(8)0.037(3)1
0.4505(5)0.00.5281(8)0.033(2)1
0.0624(5)0.00.6311(8)0.034(3)1
0.1488(9)0.00.162(1)0.046(5)0.9(1)
0.3277(8)0.00.623(1)0.028(4)0.8(1)
0.1579(9)0.00.571(1)0.035(4)0.8(1)
0.3313(9)0.00.228(1)0.031(4)0.7(1)
0.1488(9)0.00.162(1)0.046(5)0.1(1)
0.3277(8)0.00.623(1)0.028(4)0.2(1)
0.1579(9)0.00.571(1)0.035(4)0.2(1)
0.3313(9)0.00.228(1)0.031(4)0.3(1)
0.289(2)0.00.961(4)0.022(10)1
0.025(4)0.00.865(7)0.063(25)1

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