Dear Bruce,
the following is from the ICSD database (only one entry for the
compound):
COL ICSD Collection Code 203100
DATE Recorded Dec 27, 1990
NAME Tricalcium titanium diiron(III) oxide
FORM Ca3 Ti Fe2 O8
= Ca3 Fe2 O8 Ti
TITL Perovskite Threefold Superlattices: A Structure Determination
of
the A3 M3 O8 Phase
REF Materials Research Bulletin
MRBUA 24 (1989) 423-430
AUT Rodriguez Carvajal J, Vallet Regi˙M, Gonzalez Calbet˙J˙M
CELL a=5.530(0) b=11.205(1) c=5.438(0) ą=90.0 į=90.0 ē=90.0
V=336.9 Z=2
SGR P c m 21 (26) - orthorhombic
CLAS mm2 (Hermann-Mauguin) - C2v (Schoenflies)
PRS oP28
ANX A3B3X8
PARM Atom__No OxStat Wyck -----X----- -----Y----- -----Z----- -SOF-
Fe 1 3.000 2a 0.309(2) 0. 0.050(2)
Ti 1 4.000 4c 0.258(1) 0.3303(5) 0. 0.5
Fe 2 3.000 4c 0.258(1) 0.3303(5) 0. 0.5
Ca 1 2.000 2b 0.234(2) 1/2 0.486(4)
Ca 2 2.000 4c 0.225(1) 0.1884(5) 0.526(3)
O 1 -2.000 2a 0.398(6) 0. 0.410(6)
O 2 -2.000 2b 0.316(5) 1/2 -0.010(7)
O 3 -2.000 4c 0.169(3) 0.144(2) -0.018(5)
O 4 -2.000 4c -0.010(5) 0.353(2) 0.227(7)
O 5 -2.000 4c 0.469(5) 0.300(2) 0.281(6)
WYCK c5 b2 a2
ITF Fe 1 B=0.57(4)
ITF Ti 1 B=0.57(4)
ITF Fe 2 B=0.57(4)
ITF Ca 1 B=0.57(4)
ITF Ca 2 B=0.57(4)
ITF O 1 B=0.57(4)
ITF O 2 B=0.57(4)
ITF O 3 B=0.57(4)
ITF O 4 B=0.57(4)
ITF O 5 B=0.57(4)
REM XDP (X-ray diffraction from a powder)
RVAL 0.128
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Dr. Uwe Kolitsch
Institut für Mineralogie und Kristallographie
Geozentrum
Universität Wien
Althanstr. 14
A-1090 Wien
Austria
Tel +43-1-4277-53239
Fax +43-1-4277-9532
e-mail: [EMAIL PROTECTED]
home page: http://www.univie.ac.at/mineralogie/kolitsch.htm
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