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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
Crystal structure of Sapphirine -1Tc.
Authors
Merlino, S.
Reference
Zeitschrift fuer Kristallographie (1980)
151
, 91-100
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Also:
Nature (1968)
218
, 81-82
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Also:
IC&volume=54&fpage=31&details=yes target=icsd_help>American Mineralogist (1969)
54
, 31-49
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IC&volume=30&fpage=168&details=yes target=icsd_help>Acta Crystallographica A (1974)
30
, 168-133
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Compound
Al8.05 Fe1.05 Mg3.15 O20 Si1.75
-
[Sapphirine 1A]
Aluminium magnesium iron alumosilicate *
[
AB4C9X20
] [
aP68
] [
i33 f e
] [
]
Cell
9.97(1), 10.34(1), 8.62(1), 107.4(1), 95.2(1), 123.8(1)
P1- (2)
V=666.62
Remarks
R=0.056000 : M =Sapphirine 1A : =Fe : P =44-1430 :
Calculated density unusual but tolerable.
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
Mean M-O: 1.94, 1.93, 2.02, 2.09, 2,14, 2.13, 1.93, 1.92, 1.94
PDF 44-1430, mean T-O: 1.753, 1.656, 1.710, 1.743, 1.756, 1.734
Atom (site) Oxid.
x, y, z, B, Occupancy
Al1
(2i)
3
Fe1
(2i)
3
Al2
(2i)
3
Fe2
(2i)
3
Mg1
(2i)
2
Fe3
(2i)
3
Fe4
(2i)
2
Mg2
(2i)
2
Fe5
(2i)
2
Mg3
(2i)
2
Fe6
(2i)
2
Mg4
(2i)
2
Fe7
(2i)
2
Al3
(2i)
3
Al4
(1e)
3
Al5
(1f)
3
Al6
(2i)
3
Si1
(2i)
4
Al7
(2i)
3
Si2
(2i)
4
Al8
(2i)
3
Al9
(2i)
3
Si3
(2i)
4
Al10
(2i)
3
Al11
(2i)
3
Si4
(2i)
4
O1
(2i)
-2
O2
(2i)
-2
O3
(2i)
-2
O4
(2i)
-2
O5
(2i)
-2
O6
(2i)
-2
O7
(2i)
-2
O8
(2i)
-2
O9
(2i)
-2
O10
(2i)
-2
O11
(2i)
-2
O12
(2i)
-2
O13
(2i)
-2
O14
(2i)
-2
O15
(2i)
-2
O16
(2i)
-2
O17
(2i)
-2
O18
(2i)
-2
O19
(2i)
-2
O20
(2i)
-2
-.19
0.35
-.33
0.28
0.9
-.19
0.35
-.33
0.28
0.1
0.28
0.33
-.34
0.41
0.9
0.28
0.33
-.34
0.41
0.1
0.09
0.44
-.44
0.51
0.7
0.09
0.44
-.44
0.51
0.25
0.09
0.44
-.44
0.51
0.05
0.59
0.44
-.44
0.34
0.85
0.59
0.44
-.44
0.34
0.15
-.29
0.14
-.12
0.22
0.8
-.29
0.14
-.12
0.22
0.2
0.17
0.12
-.14
0.35
0.8
0.17
0.12
-.14
0.35
0.2
0.49
0.24
-.24
0.33
1
0.5
0.5
0
0.25
1
0.5
0
0.5
0.28
1
-.27
0.14
0.25
0.10
1
0.23
0.14
0.25
0.15
0.75
0.23
0.14
0.25
0.15
0.25
0.02
0.25
0.15
0.22
0.5
0.02
0.25
0.15
0.22
0.5
-.46
0.25
0.14
0.15
0.75
-.46
0.25
0.14
0.15
0.25
0.12
-.06
0.44
0.21
1
0.13
0.44
-.06
0.28
0.75
0.13
0.44
-.06
0.28
0.25
-.25
0.36
-.12
0.42
1
0.25
0.37
-.12
0.42
1
-.15
0.55
-.33
0.56
1
0.34
0.55
-.32
0.37
1
0.03
0.45
-.22
0.66
1
0.51
0.43
-.22
0.28
1
0.14
0.66
-.44
0.62
1
0.65
0.67
-.43
0.38
1
0.26
-.12
0.37
0.36
1
-.25
-.12
0.36
0.35
1
0.35
0.10
0.18
0.33
1
-.14
0.09
0.17
0.46
1
-.05
-.22
0.45
0.46
1
-.56
-.22
0.43
0.33
1
0.07
-.01
0.28
0.47
1
-.45
-.02
0.28
0.39
1
-.35
0.18
0.09
0.42
1
0.14
0.17
0.10
0.46
1
-.02
0.28
-.01
0.49
1
0.45
0.28
-.02
0.51
1
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