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ICSD for WWW : Details

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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=412222 Help
TitleSynthesis and structures of chloride thiosilicates with lanthanides Ln3 Cl (Si S4)2 (Ln = La, Ce, Pr).
AuthorsHatscher, S.T.;Urland, W.
ReferenceMaterials Research Bulletin (2002) 37, 1239-1247
Link XRef SCOPUS SCIRUS Google
CompoundCe3 Cl1 S8 Si2 - Tricerium chloride bis(tetrathiosilicate) [A2B3XY8] [mS56] [f6 e2] []
Cell15.594(3), 7.7019(16), 10.969(2), 90., 97.07(2), 90.
C12/C1 (15) V=1307.4
RemarksR=0.019600 :
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
Ce1(8f)3
Ce2(4e)3
Cl1(4e)-1
Si1(8f)4
S1(8f)-2
S2(8f)-2
S3(8f)-2
S4(8f)-2
0.191897(10)0.119206(16)0.684916(13)0.01011(9)1
0.50.11892(2)0.750.01247(10)1
01.00058(12)0.250.0251(2)1
0.15971(5)0.46830(9)0.02927(6)0.00842(15)1
0.14593(4)0.25069(7)0.14058(6)0.01215(15)1
0.28430(4)0.57334(8)0.08457(5)0.01006(14)1
0.06481(4)0.65697(8)0.04996(6)0.01141(15)1
0.14813(4)0.40944(8)-.15947(6)0.01042(14)1
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ce1(8f)3
Ce2(4e)3
Cl1(4e)-1
Si1(8f)4
S1(8f)-2
S2(8f)-2
S3(8f)-2
S4(8f)-2
0.01516(13)0.00707(12)0.00790(12)0.00275(4)0.00064(8)0.00054(4)
0.00892(14)0.01110(14)0.01769(15)00.00285(10)0
0.0294(6)0.0125(4)0.0337(5)00.0050(4)0
0.0096(3)0.0082(3)0.0074(3)0.0004(2)0.0010(3)-0.0002(2)
0.0147(3)0.0087(3)0.0138(3)0.0032(2)0.0046(2)0.0036(2)
0.0104(3)0.0114(3)0.0082(3)-0.0014(2)0.0001(2)0.0009(2)
0.0092(3)0.0099(2)0.0146(3)0.0008(2)-0.0005(2)-0.0030(2)
0.0118(3)0.0118(3)0.0075(3)0.0019(2)0.0008(2)-0.0017(2)

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