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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
Synthesis and crystal structures of yttrium sulfates Y (O H) (S O4), Y (S O4) F, Y Ni (O H)3 (S O4) - II and Y2 Cu (O H)3 (S O4)2 F* (H2 O).
Authors
Wang, X.-Q.;Liu, L.-M.;Ross, K.;Jacobson, A.J.
Reference
IC&volume=2&fpage=109&details=yes target=icsd_help>Solid State Sciences (2000)
2
, 109-118
Link
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Compound
H5 Cu1 F1 O12 S2 Y2
- Diyttrium copper trihydroxide bis(sulfate(VI)) fluoride hydrate
[
AB2C2XY12
] [
mP92
] [
e18
] [
]
Cell
11.6889(7), 6.8660(4), 12.5280(8), 90., 97.092(1), 90.
P121/N1 (14)
V=997.75
Remarks
R=0.027000 :
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
Y1
(4e)
3
Y2
(4e)
3
Cu1
(4e)
2
S1
(4e)
6
S2
(4e)
6
O1
(4e)
-2
O2
(4e)
-2
O3
(4e)
-2
O4
(4e)
-2
O5
(4e)
-2
O6
(4e)
-2
O7
(4e)
-2
O8
(4e)
-2
O9
(4e)
-2
O10
(4e)
-2
O11
(4e)
-2
O12
(4e)
-2
F1
(4e)
-1
H1
(4e)
1
H2
(4e)
1
H3
(4e)
1
H4
(4e)
1
H5
(4e)
1
0.31
0.23
0.50
0.00
1
0.49
0.24
0.80
0.00
1
0.25
-.01
0.74
0.00
1
0.52
0.26
0.09
0.00
1
0.62
0.25
0.56
0.00
1
0.15
0.21
0.60
0.02
1
0.47
0.28
0.98
0.01
1
0.51
0.58
0.83
0.01
1
0.50
-.07
0.86
0.02
1
0.51
0.25
0.49
0.01
1
0.61
0.26
0.67
0.01
1
0.69
0.08
0.54
0.01
1
0.69
0.43
0.53
0.01
1
0.29
0.23
0.82
0.00
1.
0.37
0.42
0.66
0.00
1.
0.38
0.05
0.66
0.00
1.
0.35
0.22
0.31
0.02
1.
0.16
0.25
0.39
0.01
1
0.28
0.23
0.88
0.01
1
0.41
0.52
0.64
0.02
1
0.38
-.04
0.66
0.04
1
0.40
0.28
0.27
0.05
1
0.29
0.20
0.26
0.06
1
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