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ICSD for WWW : Details

ICSD for WWW

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1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=26016 Help
TitleThe Structures of Potassium Lead Triiodide Dihydrate and Ammonium Lead Triiodide Dihydrate.
AuthorsBedlivy, D.;Mereiter, K.
ReferenceActa Crystallographica B (1980) 36, 782-785
Link XRef SCOPUS SCIRUS Google
CompoundH4 I3 K1 O2 Pb1 - Potassium lead iodide dihydrate [ABX2Y3] [oP44] [c7] []
Cell10.168(2), 4.577(1), 22.484(5), 90., 90., 90.
PNMA (62) V=1046.38
RemarksR=0.030000 : DEF
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
0.54326(4)0.250.40497(2)01
0.41562(8)0.250.28312(3)01
0.74850(7)0.750.36729(4)01
0.66135(7)0.250.54934(3)01
0.14112(28)0.750.29991(14)4.921
0.05936(81)0.250.36294(39)5.191
0.06274(79)0.250.48710(37)5.1
0.09830.250.401801
-.03470.250.366601
0.01610.42130.499800.5
0.14920.250.504201
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
0.0409(3)0.0315(2)0.0317(2)00.0008(2)0
0.0491(5)0.0456(5)0.0329(4)0-.0027(3)0
0.0396(4)0.0379(5)0.0539(5)00.0088(3)0
0.0373(4)0.0367(5)0.0382(4)00.0018(3)0
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000000
000000
000000
000000
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