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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
Hydrothermal ppreparation, structures and NLO properties of the rare earth molybdenyl iodates, RE (Mo O2) (I O3)4 (O H) (RE = Nd, Sm, Eu).
Authors
Shehee, T.C.;Sykora, R.E.;Ok, K.M.;Halasyamani, P.S.;Albrecht-Schmitt, T.E.
Reference
Inorganic Chemistry (2003)
42
, 457-462
Link
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Compound
H1 I4 Mo1 O15 Sm1
- Samarium tetrakis(iodato(V))hydroxodioxomolybdate
[
ABC4X15
] [
mP44
] [
a21
] [
]
Cell
6.9243(6), 13.9633(11), 7.0229(6), 90., 114.681(1), 90.
P1211 (4)
V=616.99
Remarks
R=0.015400 : T =193 :
Atom (site) Oxid.
x, y, z, B, Occupancy
Sm1
(2a)
3
Mo1
(2a)
6
I1
(2a)
5
I2
(2a)
5
I3
(2a)
5
I4
(2a)
5
O1
(2a)
-2
O2
(2a)
-2
O3
(2a)
-2
O4
(2a)
-2
O5
(2a)
-2
O6
(2a)
-2
O7
(2a)
-2
O8
(2a)
-2
O9
(2a)
-2
O10
(2a)
-2
O11
(2a)
-2
O12
(2a)
-2
O13
(2a)
-2
O14
(2a)
-2
O15
(2a)
-2
H1
(2*)
1
0.07
0.05
0.41
0.01
1
0.58
0.22
0.78
0.01
1
0.52
0.46
0.76
0.01
1
0.76
0.31
0.30
0.01
1
0.15
0.18
0.94
0.01
1
0.75
0.97
0.84
0.01
1
0.39
0.35
0.69
0.01
1
0.29
0.54
0.64
0.01
1
0.60
0.47
0.54
0.01
1
0.76
0.32
0.04
0.01
1
0.93
0.41
0.41
0.01
1
0.96
0.21
0.40
0.01
1
0.42
0.21
0.99
0.01
1
0.22
0.12
0.18
0.01
1
0.09
0.09
0.77
0.01
1
0.52
0.96
0.89
0.01
1
0.75
0.83
0.76
0.01
1
0.95
0.95
1.10
0.01
1
0.77
0.13
0.94
0.01
1.
0.38
0.15
0.60
0.01
1
0.73
0.26
0.65
0.01
1
0
1.
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
Sm1
(2a)
3
Mo1
(2a)
6
I1
(2a)
5
I2
(2a)
5
I3
(2a)
5
I4
(2a)
5
O1
(2a)
-2
O2
(2a)
-2
O3
(2a)
-2
O4
(2a)
-2
O5
(2a)
-2
O6
(2a)
-2
O7
(2a)
-2
O8
(2a)
-2
O9
(2a)
-2
O10
(2a)
-2
O11
(2a)
-2
O12
(2a)
-2
O13
(2a)
-2
O14
(2a)
-2
O15
(2a)
-2
H1
(2*)
1
0.01
0.00
0.01
-0.0
0.00
-0.0
0.01
0.01
0.01
0.00
0.00
-0.0
0.01
0.01
0.01
-0.0
0.00
0.00
0.01
0.01
0.01
0.00
0.00
-0.0
0.01
0.01
0.01
0.00
0.00
0.00
0.01
0.01
0.01
-0.0
0.00
0.00
0.00
0.01
0.01
0.00
0.00
0.00
0.00
0.01
0.02
0.00
0.00
0.00
0.01
0.01
0.01
-0.0
0.01
-0.0
0.01
0.01
0.01
-0.0
0.00
-0.0
0.01
0.01
0.01
-0.0
0.00
-0.0
0.01
0.01
0.01
0.00
0.00
-0.0
0.01
0.02
0.01
-0.0
0.00
-0.0
0.01
0.01
0.00
0.00
0.00
0.00
0.01
0.01
0.01
-0.0
0.00
-0.0
0.01
0.02
0.01
-0.0
0.01
-0.0
0.01
0.01
0.02
0.00
0.00
-0.0
0.01
0.01
0.00
0.00
-0.0
0.00
0.01
0.01
0.01
0.00
0.00
0.00
0.01
0.02
0.01
-0.0
0.00
-0.0
0.01
0.02
0.01
0.00
0.00
0.00
0
0
0
0
0
0
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