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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=409606 Help
TitleCrystal structure of tetracerium(III) trisulfide heptaoxodisilicate(IV), Ce4 S3 (Si2 O7).
AuthorsHartenbach, I.;Schleid, T.
ReferenceZeitschrift fuer Kristallographie - New Crystal Structures (2002) 217, 175-176
Link XRef SCOPUS SCIRUS Google
CompoundCe4 O7 S3 Si2 - Tetracerium trisulfide disilicate [A2B4X3Y7] [tI128] [i h3 g f e b a] []
Cell12.0543(8), 12.0543(8), 14.2351(9), 90., 90., 90.
I41/AMDZ (141) V=2068.45
RemarksR=0.027000 : TEM =298 :

Atom (site) Oxid. x, y, z, B, Occupancy
Ce1(16h)3
Ce2(16g)3
S1(16f)-2
S2(4b)-2
S3(4a)-2
Si1(16h)4
O1(32i)-2
O2(16h)-2
O3(8e)-2
00.01366(4)0.34060(4)0.01615(17)1
0.17510(3)0.42510(3)0.8750.01037(16)1
0.35118(17)000.0146(5)1
00.250.3750.0117(8)1
00.750.1250.0079(7)1
00.37278(16)0.09588(16)0.0053(4)1
0.1154(3)0.1133(3)0.0402(3)0.0112(8)1
00.0250(4)0.1715(4)0.0079(11)1
00.250.6074(5)0.0113(16)1
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ce1(16h)3
Ce2(16g)3
S1(16f)-2
S2(4b)-2
S3(4a)-2
Si1(16h)4
O1(32i)-2
O2(16h)-2
O3(8e)-2
0.0154(3)0.0176(3)0.0155(3)00-0.00136(19)
0.00998(18)0.00998(18)0.0111(3)0.00112(16)-0.00008(12)0.00008(12)
0.0066(9)0.0271(12)0.0103(10)000.0072(9)
0.0094(11)0.0094(11)0.016(2)000
0.0053(10)0.0053(10)0.0131(19)000
0.0030(9)0.0048(9)0.0082(10)00-0.0004(8)
0.0103(19)0.0110(19)0.012(2)-0.0006(15)0.0033(16)-0.0010(16)
0.010(3)0.005(2)0.009(3)000.004(2)
0.010(4)0.019(4)0.005(3)000

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