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1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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TitleRefinement of the crystal structure of a medium iron epidote.
AuthorsStergiou, A.C.;Rentzeperis, P.J.;Sklavounos, S.
ReferenceZeitschrift fuer Kristallographie (1987) 178, 297-305
Link XRef SCOPUS Google
CompoundH1 Al2.4 Ca2 Fe0.6 O13 Si3 - [Epidote, ferrian] Calcium aluminum iron(III) silicate hydroxide (2/2.4/0.6/3/1) [AB2C2D3X13] [mP44] [f3 e13 c a] []
Cell8.893(3), 5.640(1), 10.185(1), 90., 115.34(2), 90.
P121/M1 (11) V=461.69
RemarksR=0.033000 : M =Epidote, ferrian : P =71-1536 :
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
Calculated density unusual but tolerable.

Atom (site) Oxid. x, y, z, B, Occupancy
Ca1(2e)2
Ca2(2e)2
Al1(2a)3
Al2(2c)3
Al3(2e)3
Fe1(2e)3
Si1(2e)4
Si2(2e)4
Si3(2e)4
O1(4f)-2
O2(4f)-2
O3(4f)-2
O4(2e)-2
O5(2e)-2
O6(2e)-2
O7(2e)-2
O8(2e)-2
O9(2e)-2
O10(2e)-2
H1(2e)1
0.750.750.1501
0.600.750.4201
00001
000.501
0.290.250.2200.4
0.290.250.2200.6
0.330.750.0401
0.680.250.2701
0.180.750.3101
0.230.990.0401
0.300.980.3501
0.790.010.3401
0.050.250.1201
0.040.750.1401
0.060.750.4001
0.510.750.1701
0.520.250.3001
0.620.250.0901
0.080.250.4201
0.050.250.3114.71
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ca1(2e)2
Ca2(2e)2
Al1(2a)3
Al2(2c)3
Al3(2e)3
Fe1(2e)3
Si1(2e)4
Si2(2e)4
Si3(2e)4
O1(4f)-2
O2(4f)-2
O3(4f)-2
O4(2e)-2
O5(2e)-2
O6(2e)-2
O7(2e)-2
O8(2e)-2
O9(2e)-2
O10(2e)-2
H1(2e)1
0.010.000.0100.010
0.010.010.0000.000
0.000.000.000.000.00-.00
0.010.000.00-.000.000.00
0.000.000.0000.000
0.000.000.0000.000
0.000.000.0000.000
0.000.000.0000.000
0.000.000.0000.000
0.000.000.00-.000.00-.00
0.010.000.01-.000.01-.00
0.000.000.01-.00-.00-.00
0.000.000.0000.000
0.010.000.0000.000
0.000.000.0000.000
0.010.010.0000.000
0.010.010.0000.000
0.010.010.0100.000
0.010.000.0100.010
000000

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