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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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Title
Fe(II)Fe(III)2(SO4)4 * 2H2O: a new Fe(II)-Fe(III) sulfate, synthesis and crystal structure.
Authors
Wildner, M.;Giester, G.
Reference
Zeitschrift fuer Kristallographie (1991)
196
, 269-277
Link
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Compound
H4 Fe3 O18 S4
- Iron(II) diiron(III) sulfate dihydrate
[
AB2C4X18
] [
mP58
] [
e12 a
] [
]
Cell
5.127(1), 14.293(3), 8.425(2), 90., 92.64, 90.
P121/N1 (14)
V=616.73
Remarks
R=0.032000 : M =Fe :
Atom (site) Oxid.
x, y, z, B, Occupancy
Fe1
(2a)
2
Fe2
(4e)
3
S1
(4e)
6
S2
(4e)
6
O1
(4e)
-2
O2
(4e)
-2
O3
(4e)
-2
O4
(4e)
-2
O5
(4e)
-2
O6
(4e)
-2
O7
(4e)
-2
O8
(4e)
-2
O9
(4e)
-2
H1
(4e)
1
H2
(4e)
1
0.5
0.5
0.5
0
1
0.74
0.34
0.02
0
1
0.77
0.56
0.17
0
1
0.28
0.32
0.26
0
1
0.76
0.56
0.35
0
1
0.74
0.47
0.10
0
1
0.56
0.62
0.11
0
1
0.02
0.60
0.14
0
1
0.51
0.29
0.19
0
1
0.28
0.42
0.30
0
1
0.05
0.30
0.16
0
1
0.26
0.27
0.42
0
1
0.74
0.38
0.51
0
1
0.68
0.33
0.53
0.02
1
0.89
0.39
0.55
0.02
1
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
Fe1
(2a)
2
Fe2
(4e)
3
S1
(4e)
6
S2
(4e)
6
O1
(4e)
-2
O2
(4e)
-2
O3
(4e)
-2
O4
(4e)
-2
O5
(4e)
-2
O6
(4e)
-2
O7
(4e)
-2
O8
(4e)
-2
O9
(4e)
-2
H1
(4e)
1
H2
(4e)
1
0.01
0.01
0.00
-.00
0.00
0.00
0.00
0.00
0.00
-.00
-.00
-.00
0.00
0.00
0.00
-.00
0.00
-.00
0.00
0.00
0.00
-.00
-.00
0.00
0.02
0.02
0.00
-.00
0.00
0.00
0.02
0.01
0.02
-.00
-.00
-.00
0.01
0.01
0.02
0.00
-.00
0.00
0.01
0.01
0.01
-.00
0.00
0.00
0.01
0.01
0.01
0.00
0.00
0.00
0.01
0.00
0.01
-.00
-.00
-.00
0.01
0.01
0.01
-.00
-.00
-.00
0.01
0.01
0.00
0.00
0.00
0.00
0.01
0.01
0.02
-.00
-.00
0.00
0
0
0
0
0
0
0
0
0
0
0
0
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