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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
Rossmanite, (Li Al2) Al6 (Si6 O18) (B O3)3 (O H)4, a new alkali-deficient tourmaline: description and crystal structure.
Authors
Selway, J.B.;Novak, M.;Hawthorne, F.C.;Cerny, P.;Ottolini, L.;Kyser, T.K.
Reference
IC&volume=83&fpage=896&details=yes target=icsd_help>American Mineralogist (1998)
83
, 896-900
Link
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Compound
H4 Al8.17 B3 Li0.83 Na0.43 O31 Si6
-
[Rossmanite]
Sodium lithium aluminium hexasilicate borate hydroxide (0.43/0.83/8.17/1/3/4)
[
AB9C18D27X93
] [
hR53
] [
c5 b6 a2
] [
]
Cell
15.770(2), 15.770(2), 7.085(1), 90., 90., 120.
R3MH (160)
V=1525.93
Remarks
R=0.017000 : D M =Rossmanite :
Calculated density unusual but tolerable.
Deviation of the charge sum from zero tolerable.
Atom (site) Oxid.
x, y, z, B, Occupancy
Na1
(3a)
1
Al1
(9b)
3
Li1
(9b)
1
Al2
(18c)
3
Si1
(18c)
4
B1
(9b)
3
O1
(3a)
-2
O2
(9b)
-2
O3
(9b)
-2
O4
(9b)
-2
O5
(9b)
-2
O6
(18c)
-2
O7
(18c)
-2
O8
(18c)
-2
H1
(18c)
1
0
0
0.84
0
0.43
0.06
0.93
0.43
0
0.72
0.06
0.93
0.43
0
0.27
0.25
0.29
0.46
0
1
0.18
0.19
0.07
0
1
0.89
0.10
0.61
0
1
0
0
0.30
0
1
0.93
0.06
0.58
0
1
0.12
0.87
0.56
0
1
0.90
0.09
-.00
0
1
0.09
0.90
-.02
0
1
0.18
0.19
0.29
0
1
0.28
0.28
-.00
0
1
0.27
0.20
0.63
0
1
0
0.66
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
Na1
(3a)
1
Al1
(9b)
3
Li1
(9b)
1
Al2
(18c)
3
Si1
(18c)
4
B1
(9b)
3
O1
(3a)
-2
O2
(9b)
-2
O3
(9b)
-2
O4
(9b)
-2
O5
(9b)
-2
O6
(18c)
-2
O7
(18c)
-2
O8
(18c)
-2
H1
(18c)
1
0.02
0.02
0.01
0.01
0
0
0.00
0.00
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
-.00
-.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.02
0.02
0.00
0.01
0
0
0.01
0.01
0.01
0.00
-.00
0.01
0.00
0.00
0.00
-.00
0.00
-.00
0.00
0.00
0.00
-.00
-.00
0.00
0.00
0.00
0.00
-.00
-.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
-.00
0.00
0.00
0.00
0.00
-.00
-.00
0
0
0
0
0
0
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