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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=95452
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Title
Determination of the crystal structure of khanneshite by the Rietveld method.
Authors
Belovitskaya, Yu.V.;Pekov, I.V.;Gobechiya, E.R.;Kabalov, Yu.K.;Schneider, J.
Reference
Kristallografiya (2002)
47
, 46-49
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Also:
IC&volume=47&fpage=39&details=yes target=icsd_help>Crystallography Reports (2002)
47
, 39-42
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Compound
C5 Ba1.08 Ca0.69 Ce0.82 Na2.75 O15 Sr0.63
-
[Khanneshite]
Sodium calcium strontium barium cerium carbonate (2.57/0.89/0.63/1.08/0.82/5)
[
A3B3C5X15
] [
hP52
] [
d c6 b a
] [
]
Cell
10.5790(1), 10.5790(1), 6.5446(1), 90, 90, 120
P63MC (186)
V=634.31
Remarks
R=0.014200 : M =Khanneshite : X D
Atom (site) Oxid.
x, y, z, B, Occupancy
Na1
(6c)
1
Ca1
(6c)
2
Sr1
(6c)
2
Ba1
(6c)
2
Ce1
(6c)
3
Ca2
(6c)
2
C1
(6c)
4
C2
(2a)
4
C3
(2b)
4
O1
(12d)
-2
O2
(6c)
-2
O3
(6c)
-2
O4
(6c)
-2
0.52
0.47
0.30
1.1(
0.91
0.52
0.47
0.30
1.1(
0.07
0.84
0.15
0.
0.85
0.21
0.84
0.15
0.
0.85
0.36
0.84
0.15
0.
0.85
0.27
0.84
0.15
0.
0.85
0.15
0.79
0.20
0.54
1.4(
1
0.
0.
0.83
1.(1
1
0.33
0.66
0.50
3.(1
1
0.37
0.08
0.62
1.6(
1
0.92
0.07
0.34
3.7(
1
0.40
0.59
0.48
1.9(
1
0.77
0.22
0.35
2.4(
1
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