ICSD for WWW
Details of the selected entries
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=72807
Help
CIF
Shel-X
FullProf
PowderCell
Old ICSD
Title
Crystal structure refinements of spangolite, a hydrated basic sulphate of copper and aluminium, from three different occurrences.
Authors
Merlino, S.;Pasero, M.;Sabelli, C.;Trosti-Ferroni, R.
Reference
Neues Jahrbuch fuer Mineralogie. Monatsh (1992)
1992
, 349-357
Link
XRef
SCOPUS
Google
Compound
H18 Al0.94 Cl1 Cu6 Fe0.06 O19 S1
-
[Spangolite]
Hexacopper aluminium sulfate(VI) dodecahydroxide chloride trihydrate
[
ABC6XY19
] [
hP92
] [
c8 b2 a2
] [
]
Cell
8.278(2), 8.278(2), 14.442(4), 90., 90., 120.
P31C (159)
V=857.06
Remarks
R=0.061000 : M =Spangolite : P =5-142 :
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
Calculated density unusual but tolerable.
Atom (site) Oxid.
x, y, z, B, Occupancy
Al1
(2b)
3
Fe1
(2b)
3
Cu1
(6c)
2
Cu2
(6c)
2
Cl1
(2b)
-1
S1
(2a)
6
O1
(6c)
-2
O2
(6c)
-2
O3
(6c)
-2
O4
(6c)
-2
O5
(6c)
-2
O6
(6c)
-2
O7
(2a)
-2
H1
(6c)
1
0.33
0.66
0
0
0.94
0.33
0.66
0
0
0.06
0.75
0.95
-.00
0
1
0.46
0.09
0.01
0
1
0.66
0.33
0.16
0
1
0
0
0.78
0
1
0.09
0.60
0.26
0
1.
0.21
0.03
0.06
0
1.
0.47
0.88
0.07
0
1.
0.84
0.55
-.05
0
1.
0.03
0.18
0.75
0
1
0.56
0.74
-.07
0
1.
0
0
0.88
0
1
0
6.
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
Al1
(2b)
3
Fe1
(2b)
3
Cu1
(6c)
2
Cu2
(6c)
2
Cl1
(2b)
-1
S1
(2a)
6
O1
(6c)
-2
O2
(6c)
-2
O3
(6c)
-2
O4
(6c)
-2
O5
(6c)
-2
O6
(6c)
-2
O7
(2a)
-2
H1
(6c)
1
0.00
0.00
0.01
0.00
0
0
0.00
0.00
0.01
0.00
0
0
0.01
0.00
0.01
0.00
-.00
-.00
0.01
0.01
0.01
0.00
0.00
0.00
0.03
0.03
0.07
0.01
0
0
0.05
0.05
0.00
0.02
0
0
0.15
0.26
0.00
0.14
0.01
-0.0
0.01
0.00
0.01
0.01
0.00
-.00
0.00
0.01
0.00
0.00
-.00
-.00
0.00
0.00
0.00
0.00
-.00
0.00
0.11
0.09
0.00
0.06
-.01
0.00
0.01
0.01
0.00
0.00
-.00
-.00
0.02
0.02
0.01
0.01
0
0
0
0
0
0
0
0
Demo database
Copying or publishing either the ICSD data or software without written permission is illegal.
The ICSD database
is copyright © 2018 by
Fachinformationszentrum (FIZ) Karlsruhe
The PHP-mySQL WWW interface
is copyright © 2003-2015 by
Peter Hewat
The 3D crystal structure visualisation software,
xtal-3d
is copyright © 1994-2015 by Marcus Hewat
The PHP-JMOL drawing software
is copyright © 2006-2015 by
Alan Hewat
Please report technical problems with ICSD for WWW to
alan.hewat[a]neutronoptics.com
(Alan Hewat).