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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
The Structures of Potassium Lead Triiodide Dihydrate and Ammonium Lead Triiodide Dihydrate.
Authors
Bedlivy, D.;Mereiter, K.
Reference
IC&volume=36&fpage=782&details=yes target=icsd_help>Acta Crystallographica B (1980)
36
, 782-785
Link
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Compound
H4 I3 K1 O2 Pb1
- Potassium lead iodide dihydrate
[
ABX2Y3
] [
oP44
] [
c7
] [
]
Cell
10.168(2), 4.577(1), 22.484(5), 90., 90., 90.
PNMA (62)
V=1046.38
Remarks
R=0.030000 : D
At least one temperature factor missing in the paper.
Atom (site) Oxid.
x, y, z, B, Occupancy
Pb1
(4c)
2
I1
(4c)
-1
I2
(4c)
-1
I3
(4c)
-1
K1
(4c)
1
O1
(4c)
-2
O2
(4c)
-2
H1
(4c)
1
H2
(4c)
1
H3
(8d)
1
H4
(4c)
1
0.54
0.25
0.40
0
1
0.41
0.25
0.28
0
1
0.74
0.75
0.36
0
1
0.66
0.25
0.54
0
1
0.14
0.75
0.29
4.92
1
0.05
0.25
0.36
5.19
1
0.06
0.25
0.48
5.
1
0.09
0.25
0.40
0
1
-.03
0.25
0.36
0
1
0.01
0.42
0.49
0
0.5
0.14
0.25
0.50
0
1
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
Pb1
(4c)
2
I1
(4c)
-1
I2
(4c)
-1
I3
(4c)
-1
K1
(4c)
1
O1
(4c)
-2
O2
(4c)
-2
H1
(4c)
1
H2
(4c)
1
H3
(8d)
1
H4
(4c)
1
0.04
0.03
0.03
0
0.00
0
0.04
0.04
0.03
0
-.00
0
0.03
0.03
0.05
0
0.00
0
0.03
0.03
0.03
0
0.00
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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