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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=79839
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Title
Temperature-dependent Al order-disorder in the tetrahedral double chain of C2/m amphiboles.
Authors
Oberti, R.;Ungaretti, L.;Cannillo, E.;Hawthorne, F.C.;Memmi, I.
Reference
IC&volume=7&fpage=104&details=yes target=icsd_help>European Journal of Mineralogy (1995)
7
, 104-106
Link
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Compound
H2 Al1.9 Ca1.84 Fe1.46 K0.1 Mg3.1 Na0.4 O24 Si6.4 Ti0.3
-
[Pargasite]
Sodium calcium magnesium alumosilicate hydroxide *
[
AB4C20D50X240
] [
mS83
] [
j7 i3 h3 g2 b a
] [
]
Cell
9.874, 18.04799, 5.321, 90., 105.08, 90.
C12/M1 (12)
V=915.58
Remarks
R=0.014000 : D M =Pargasite : =Fe : =39-373 :
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.
PDF 39-373, Bik from author, mean T-O: 1.657, 1.646, mean M-O:
Sample S(8), no site occupations given; formula in analogy to s
Atom (site) Oxid.
x, y, z, B, Occupancy
O1
(8j)
-2
O2
(8j)
-2
O3
(4i)
-2
O4
(8j)
-2
O5
(8j)
-2
O6
(8j)
-2
O7
(4i)
-2
Si1
(8j)
4
Al1
(8j)
3
Si2
(8j)
4
Al2
(8j)
3
Mg1
(4h)
2
Fe1
(4h)
2
Mg2
(4g)
2
Al3
(4g)
3
Ti1
(4g)
4
Fe2
(4g)
2.5
Mg3
(2a)
2
Fe3
(2a)
2
Ca1
(4h)
2
Fe4
(4h)
2
Ca2
(4h)
2
Fe5
(4h)
2
Na1
(2b)
1
K1
(4i)
1
Na2
(4g)
1
H1
(4i)
1
0.10
0.08
0.21
0
1
0.11
0.17
0.73
0
1
0.10
0
0.71
0
1.
0.36
0.24
0.79
0
1
0.34
0.13
0.11
0
1
0.34
0.11
0.60
0
1
0.33
0
0.28
0
1
0.28
0.08
0.30
0
0.7
0.28
0.08
0.30
0
0.3
0.29
0.17
0.81
0
0.9
0.29
0.17
0.81
0
0.1
0
0.08
0.5
0
0.7
0
0.08
0.5
0
0.3
0
0.17
0
0
0.5
0
0.17
0
0
0.15
0
0.17
0
0
0.15
0
0.17
0
0
0.2
0
0
0
0
0.7
0
0
0
0
0.3
0
0.27
0.5
0
0.83
0
0.27
0.5
0
0.07
0
0.25
0.5
1.04
0.09
0
0.25
0.5
1.04
0.01
0
0.5
0
0
0.36
0.02
0.5
0.07
0
0.05
0
0.46
0
0
0.02
0.18
0
0.75
1.53
1
Atom (site) Oxid.
Beta11, Beta22, Beta33, Beta12, Beta13, Beta23
O1
(8j)
-2
O2
(8j)
-2
O3
(4i)
-2
O4
(8j)
-2
O5
(8j)
-2
O6
(8j)
-2
O7
(4i)
-2
Si1
(8j)
4
Al1
(8j)
3
Si2
(8j)
4
Al2
(8j)
3
Mg1
(4h)
2
Fe1
(4h)
2
Mg2
(4g)
2
Al3
(4g)
3
Ti1
(4g)
4
Fe2
(4g)
2.5
Mg3
(2a)
2
Fe3
(2a)
2
Ca1
(4h)
2
Fe4
(4h)
2
Ca2
(4h)
2
Fe5
(4h)
2
Na1
(2b)
1
K1
(4i)
1
Na2
(4g)
1
H1
(4i)
1
0.00
0.00
0.00
-.00
0.00
-.00
0.00
0.00
0.00
0
0.00
0.00
0.00
0.00
0.00
0
0.00
0
0.00
0.00
0.00
-.00
0.00
0.00
0.00
0.00
0.00
0
0.00
0.00
0.00
0.00
0.01
0.00
0.00
-.00
0.00
0.00
0.01
0
0.00
0
0.00
0.00
0.00
-.00
0.00
0
0.00
0.00
0.00
-.00
0.00
0
0.00
0.00
0.00
-.00
0.00
0.00
0.00
0.00
0.00
-.00
0.00
0.00
0.00
0.00
0.00
0
0.00
0
0.00
0.00
0.00
0
0.00
0
0.00
0.00
0.00
0
0.00
0
0.00
0.00
0.00
0
0.00
0
0.00
0.00
0.00
0
0.00
0
0.00
0.00
0.00
0
0.00
0
0.00
0.00
0.00
0
0.00
0
0.00
0.00
0.00
0
0.00
0
0.00
0.00
0.00
0
0.00
0
0.00
0.00
0.00
0
0.00
0
0
0
0
0
0
0
0
0
0
0
0
0
0.00
0.00
0.01
0
0.00
0
0.01
0.00
0.04
0
0.02
0
0.00
0.00
0.03
0
0.00
0
0
0
0
0
0
0
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