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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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TitleCrystal structure refinements of spangolite, a hydrated basic sulphate of copper and aluminium, from three different occurrences.
AuthorsMerlino, S.;Pasero, M.;Sabelli, C.;Trosti-Ferroni, R.
ReferenceNeues Jahrbuch fuer Mineralogie. Monatsh (1992) 1992, 349-357
Link XRef SCOPUS Google
CompoundH18 Al0.94 Cl1 Cu6 Fe0.06 O19 S1 - [Spangolite] Hexacopper aluminium sulfate(VI) dodecahydroxide chloride trihydrate [ABC6XY19] [hP92] [c8 b2 a2] []
Cell8.278(2), 8.278(2), 14.442(4), 90., 90., 120.
P31C (159) V=857.06
RemarksR=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
0.330.66000.94
0.330.66000.06
0.750.95-.0001
0.460.090.0101
0.660.330.1601
000.7801
0.090.600.2601.
0.210.030.0601.
0.470.880.0701.
0.840.55-.0501.
0.030.180.7501
0.560.74-.0701.
000.8801
06.
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
0.000.000.010.0000
0.000.000.010.0000
0.010.000.010.00-.00-.00
0.010.010.010.000.000.00
0.030.030.070.0100
0.050.050.000.0200
0.150.260.000.140.01-0.0
0.010.000.010.010.00-.00
0.000.010.000.00-.00-.00
0.000.000.000.00-.000.00
0.110.090.000.06-.010.00
0.010.010.000.00-.00-.00
0.020.020.010.0100
000000

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