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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=50144 Help
TitleStructural investigations along the join Ca Ti O Si O4 - Ca Sn O SiO4.
AuthorsKunz, M.;Xirouchakis, D.;Wang, Y.-B.;Parise, J.B.;Lindsley, D.H.
ReferenceIC&volume=77&fpage=1&details=yes target=icsd_help>Schweizerische Mineralogische und Petrog (1997) 77, 1-11
Link XRef SCOPUS Google
CompoundCa1 O5 Si1 Ti1 - [Titanite] Calcium titanium oxide silicate [ABCX5] [mP32] [e8] []
Cell7.06104(4), 8.71380(5), 6.55853(4), 90., 113.8080(5), 90.
P121/A1 (14) V=369.2
RemarksR=0.038800 : S M =Titanite :
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
Ca1(4e)2
Ti1(4e)4
Si1(4e)4
O1(4e)-2
O2(4e)-2
O3(4e)-2
O4(4e)-2
O5(4e)-2
0.240.160.000.001
0.510.000.490.001
0.750.180.990.001
0.750.070.490.001
0.900.060.180.001
0.380.210.390.001
0.380.210.390.001
0.910.310.430.001

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