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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
Cation occupancies in serendibite: a crystal structure study.
Authors
van Derveer, D.G.;Swihart, G.H.;Sen Gupta, P.K.;Grew, E.S.
Reference
IC&volume=78&fpage=195&details=yes target=icsd_help>American Mineralogist (1993)
78
, 195-203
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Compound
Al5 B1.632 Ca1.598 Mg2 Na0.402 O20 Si3.368
-
[Serendibite]
Calcium sodium boron silicon magnesium aluminium silicate *
[
A2B2C2D3X20
] [
aP68
] [
i33 c b
] [
]
Cell
10.010(3), 10.393(3), 8.631(2), 106.38(1), 96.10(1), 124.37(1)
P1- (2)
V=669.93
Remarks
R=0.020000 : M =Serendibite : P =29-343 :
Calculated density unusual but tolerable.
Deviation of the charge sum from zero tolerable.
Atom (site) Oxid.
x, y, z, B, Occupancy
B1
(2i)
3
Si1
(2i)
4
Si2
(2i)
4
Al1
(2i)
3
B2
(2i)
3
Si3
(2i)
4
Si4
(2i)
4
Si5
(2i)
4
Al2
(1b)
3
Al3
(1c)
3
Al4
(2i)
3
Al5
(2i)
3
Mg1
(2i)
2
Mg2
(2i)
2
Al6
(2i)
3
Ca1
(2i)
2
Na1
(2i)
1
Ca2
(2i)
2
Na2
(2i)
1
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
0.46
0.23
0.33
0
0.65
0.46
0.23
0.33
0
0.34
0.98
0.22
0.34
0
1
0.78
0.34
0.23
0
1
0.26
0.32
0.21
0
0.98
0.26
0.32
0.21
0
0.02
0.64
0.94
0.44
0
1
0.35
0.55
0.05
0
1
0
0
0.5
0
1
0
0.5
0
0
1
0.31
0.85
0.17
0
1
0.77
0.82
0.14
0
1
0.09
0.94
0.06
0
1
0.59
0.93
0.05
0
1
0.99
0.74
0.25
0
1
0.21
0.62
0.39
0
0.77
0.21
0.62
0.39
0
0.22
0.64
0.60
0.38
0
0.82
0.64
0.60
0.38
0
0.17
0.35
0.06
0.17
0
1
0.84
0.04
0.16
0
1
0.54
0.95
0.28
0
1
0.01
0.93
0.27
0
1
0.24
0.86
0.38
0
1
0.76
0.88
0.38
0
1
0.48
0.20
0.49
0
1
0.95
0.78
0.48
0
1
0.90
0.32
0.38
0
1
0.38
0.32
0.34
0
1
0.65
0.16
0.04
0
1
0.16
0.17
0.06
0
1
0.53
0.71
0.04
0
1
0.06
0.72
0.06
0
1
0.24
0.61
0.11
0
1
0.75
0.61
0.13
0
1
0.38
0.48
0.19
0
1
0.95
0.52
0.21
0
1
0.16
0.35
0.31
0
1
0.65
0.36
0.33
0
1
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
B1
(2i)
3
Si1
(2i)
4
Si2
(2i)
4
Al1
(2i)
3
B2
(2i)
3
Si3
(2i)
4
Si4
(2i)
4
Si5
(2i)
4
Al2
(1b)
3
Al3
(1c)
3
Al4
(2i)
3
Al5
(2i)
3
Mg1
(2i)
2
Mg2
(2i)
2
Al6
(2i)
3
Ca1
(2i)
2
Na1
(2i)
1
Ca2
(2i)
2
Na2
(2i)
1
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
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