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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:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=86869 Help
TitleGeochemical understanding as to the crystal structure of thortveitite: the ultimate in REE fractionation and the end of magmatism.
AuthorsKimata, M.;Saito, S.;Matsui, T.;Shimizu, M.;Nishida, N.
ReferenceNeues Jahrbuch fuer Mineralogie. Monatshefte (1998) 1998, 361-372
Link XRef SCOPUS SCIRUS Google
CompoundFe0.031 O7 Sc1.693 Si2 Y0.181 Yb0.095 - [Thortveitite] Scandium yttrium ytterbium iron(III) disilicate (1.69/0.18/0.1/0.03/1) [A2B2X7] [mS22] [j i2 h a] []
Cell6.5576(13), 8.5327(7), 4.6782(9), 90., 102.538(9), 90.
C12/M1 (12) V=255.52
RemarksR=0.025000 : PDF =19-1125 : TEM =284 : MIN =Thortveitite :

Atom (site) Oxid. x, y, z, B, Occupancy
Sc1(4h)3
Y1(4h)3
Yb1(4h)3
Fe1(4h)3
Si1(4i)4
O1(2a)-2
O2(4i)-2
O3(8j)-2
00.30679(6)0.500.8465
00.30679(6)0.500.0905
00.30679(6)0.500.0475
00.30679(6)0.500.0155
0.22237(16)00.91049(22)01
00001
0.38970(43)00.22097(59)01
0.23543(34)0.15636(24)0.71565(43)01
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Sc1(4h)3
Y1(4h)3
Yb1(4h)3
Fe1(4h)3
Si1(4i)4
O1(2a)-2
O2(4i)-2
O3(8j)-2
0.0062(3)0.0056(3)0.0070(3)00.0005(2)0
0.0062(3)0.0056(3)0.0070(3)00.0005(2)0
0.0062(3)0.0056(3)0.0070(3)00.0005(2)0
0.0062(3)0.0056(3)0.0070(3)00.0005(2)0
0.0094(5)0.0079(5)0.0085(5)00.0007(3)0
0.0099(20)0.0471(34)0.0387(29)00.0089(19)0
0.0119(13)0.0096(12)0.0095(12)0-0.0013(10)0
0.0213(10)0.0086(9)0.0129(9)0.0013(7)0.0027(7)0.0018(7)

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