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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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TitleThe crystal chemistry of high-aluminium titanites.
AuthorsOberti, R.;Smith, D.C.;Rossi, G.;Caucia, F.
ReferenceIC&volume=3&fpage=777&details=yes target=icsd_help>European Journal of Mineralogy (1991) 3, 777-792
Link XRef SCOPUS Google
CompoundH0.207 Al0.322 Ca0.984 F0.173 Fe0.014 O4.827 Si1 Ti0.661 - [Titanite, aluminous] Calcium titanium aluminium iron(III) silicate oxide hydroxide fluoride * [ABCX5] [mS33] [f2 e3 b] []
Cell7.0447(40), 8.6468(38), 6.5219(39), 90., 114.209(50), 90.
A12/A1 (15) V=362.34
RemarksR=0.015600 : D M =Titanite, aluminous : P =25-177 :
Calculated density unusual but tolerable.
Revised coordinates and Bik from author
Tilasite structure type
PDF 25-177, sample K52

Atom (site) Oxid. x, y, z, B, Occupancy
Ca1(4e)2
Si1(4e)4
Ti1(4b)4
Al1(4b)3
Fe1(4b)3
O1(4e)-2
F1(4e)-1
O2(8f)-2
O3(8f)-2
H1(8f)1
0.250.16000.98
0.750.18001
0.500.500.66
0.500.500.32
0.500.500.01
0.750.070.500.82
0.750.070.500.17
0.900.060.1801
0.380.200.3901
00.10
Atom (site) Oxid. Beta11, Beta22, Beta33, Beta12, Beta13, Beta23
Ca1(4e)2
Si1(4e)4
Ti1(4b)4
Al1(4b)3
Fe1(4b)3
O1(4e)-2
F1(4e)-1
O2(8f)-2
O3(8f)-2
H1(8f)1
0.010.000.000-.000
0.000.000.0000.000
0.010.000.000.000.000
0.010.000.000.000.000
0.010.000.000.000.000
0.000.000.0000.000
0.000.000.0000.000
0.000.000.000.000.000.00
0.000.000.000.000.000.00
000000

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