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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=409266
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Title
Crystal structure of the novel chiral clathrate, Ba6 In4 Ge21.
Authors
von Schnering, H.G.;Kroener, R.;Carrillo-Cabrera, W.;Peters, K.;Nesper, R.
Reference
Zeitschrift fuer Kristallographie - New (1998)
213
, 665-666
Link
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Compound
Ba6 Ge21 In4
- Barium indium germanide (6/4/21)
[
N6O25
] [
cP124
] [
e3 d2 c3 a
] [
]
Cell
14.739(2), 14.739(2), 14.739(2), 90., 90., 90.
P4132 (213)
V=3201.87
Remarks
R=0.032000 :
Atom (site) Oxid.
x, y, z, B, Occupancy
Ba1
(8c)
0
Ba2
(12d)
0
Ba3
(4a)
0
In1
(24e)
0
Ge1
(24e)
0
In2
(8c)
0
Ge2
(8c)
0
Ge3
(8c)
0
In3
(12d)
0
Ge4
(12d)
0
Ge5
(24e)
0
Ge6
(24e)
0
0.05
0.05
0.05
0
1
0.12
0.18
0.43
0
1
0.37
0.37
0.37
0
1
0.29
0.95
0.74
0
0.42
0.29
0.95
0.74
0
0.58
0.92
0.92
0.92
0
0.29
0.92
0.92
0.92
0
0.71
0.21
0.21
0.21
0
1
0.12
0.82
0.07
0
0.32
0.12
0.82
0.07
0
0.68
0.91
0.08
0.85
0
1
0.18
0.98
0.87
0
1
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
Ba1
(8c)
0
Ba2
(12d)
0
Ba3
(4a)
0
In1
(24e)
0
Ge1
(24e)
0
In2
(8c)
0
Ge2
(8c)
0
Ge3
(8c)
0
In3
(12d)
0
Ge4
(12d)
0
Ge5
(24e)
0
Ge6
(24e)
0
0.01
0.01
0.01
0.00
0.00
0.00
0.13
0.02
0.02
-.00
0.00
0.00
0.02
0.02
0.02
0.00
0.00
0.00
0.01
0.01
0.01
0.00
0.00
-.00
0.01
0.01
0.01
0.00
0.00
-.00
0.01
0.01
0.01
-.00
-.00
-.00
0.01
0.01
0.01
-.00
-.00
-.00
0.02
0.02
0.02
0.00
0.00
0.00
0.01
0.02
0.01
0.00
-.00
0.00
0.01
0.02
0.01
0.00
-.00
0.00
0.02
0.02
0.01
0.00
-.00
-.00
0.01
0.01
0.01
-.00
0.00
0.00
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