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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=413192
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Title
La4 Br2 Al5 and Ce4 Br2 Ga5: three-dimensional metal networks embedded in condensed Ln6 trigonal prisms.
Authors
Zheng Chong; Mattausch, H.-J.; Oeckler, O.; Nuss, J.; Simon, A.
Reference
Zeitschrift fuer Anorganische und Allgem (2003)
529
, 222-223
Link
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Compound
Br2 Ga4.69 La4.15
- Lanthanum bromide gallide (4.15/2/4.69)
[
N8O17P19
] [
oS43
] [
q2 p i4 h2 g c
] [
]
Cell
15.9015(10), 17.0341(11), 4.2612(3), 90., 90., 90.
CMMM (65)
V=1154.22
Remarks
R=0.029600 : D
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.
Atom (site) Oxid.
x, y, z, B, Occupancy
La1
(4i)
0
La2
(4i)
0
La3
(4g)
0
La4
(8q)
0
Br1
(4i)
0
Br2
(4i)
0
Br3
(4h)
0
Ga1
(8q)
0
Ga2
(8p)
0
Ga3
(4h)
0
La5
(2c)
0
0
0.36
0
0.01
0.69
0
0.32
0
0.02
0.30
0.27
0
0
0.01
1
0.14
0.18
0.5
0.01
1
0
0.17
0
0.01
0.69
0
0.14
0
0.02
0.30
0.12
0
0.5
0.02
1
0.35
0.13
0.5
0.01
1
0.28
0.18
0
0.01
1
0.42
0
0.5
0.01
0.69
0.5
0
0.5
0.02
0.30
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
La1
(4i)
0
La2
(4i)
0
La3
(4g)
0
La4
(8q)
0
Br1
(4i)
0
Br2
(4i)
0
Br3
(4h)
0
Ga1
(8q)
0
Ga2
(8p)
0
Ga3
(4h)
0
La5
(2c)
0
0.00
0.01
0.01
0
0
0
0.01
0.03
0.01
0
0
0
0.02
0.01
0.01
0
0
0
0.01
0.01
0.01
-.00
0
0
0.01
0.02
0.01
0
0
0
0.01
0.04
0.01
0
0
0
0.02
0.01
0.02
0
0
0
0.01
0.01
0.00
0.00
0
0
0.01
0.01
0.01
0.00
0
0
0.01
0.01
0.03
0
0
0
0.01
0.01
0.04
0
0
0
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