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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
New phosphate langbeinites, K2 M Ti (P O4)3 (M = Er, Yb or Y) and an alternative description of the langbeinite framework.
Authors
Norberg, S.T.
Reference
IC&volume=58&fpage=743&details=yes target=icsd_help>Acta Crystallographica B (2002)
58
, 743-749
Link
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Compound
Cr1 K2 O12 P3 Ti1
-
[Unnamed_Langbeinite]
Dipotassium chromium titanium tris(phosphate(V))
[
ABC2D3X12
] [
cP76
] [
b5 a4
] [
K2Mg2(SO4)3
]
Cell
9.8001(2), 9.8001(2), 9.8001(2), 90., 90., 90.
P213 (198)
V=941.22
Remarks
R=0.016000 : T =K2Mg2(SO4)3 : =Unnamed_Langbeinite :
Atom (site) Oxid.
x, y, z, B, Occupancy
K1
(4a)
1
K2
(4a)
1
Cr1
(4a)
3
Ti1
(4a)
4
Cr2
(4a)
3
Ti2
(4a)
4
P1
(12b)
5
O1
(12b)
-2
O2
(12b)
-2
O3
(12b)
-2
O4
(12b)
-2
0.04
0.54
-.04
0.02
1
-.18
0.31
0.18
0.01
1
-.16
0.66
0.33
0.00
0.38
-.16
0.66
0.33
0.00
0.61
0.39
0.60
0.10
0.00
0.61
0.39
0.60
0.10
0.00
0.38
0.12
0.47
0.29
0.00
1
0.10
0.32
0.25
0.01
1
-.01
0.55
0.27
0.01
1
0.17
0.48
0.44
0.01
1
0.22
0.54
0.20
0.01
1
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
K1
(4a)
1
K2
(4a)
1
Cr1
(4a)
3
Ti1
(4a)
4
Cr2
(4a)
3
Ti2
(4a)
4
P1
(12b)
5
O1
(12b)
-2
O2
(12b)
-2
O3
(12b)
-2
O4
(12b)
-2
0.02
0.02
0.02
0.00
-0.0
-0.0
0.01
0.01
0.01
-0.0
0.00
0.00
0.00
0.00
0.00
0.00
-0.0
-0.0
0.00
0.00
0.00
0.00
-0.0
-0.0
0.00
0.00
0.00
-0.0
0.00
0.00
0.00
0.00
0.00
-0.0
0.00
0.00
0.00
0.00
0.00
0.00
0.00
-0.0
0.01
0.00
0.01
0.00
0.00
-0.0
0.01
0.01
0.01
0.00
0.00
-0.0
0.01
0.01
0.00
-0.0
-0.0
0.00
0.01
0.01
0.01
-0.0
0.00
0.00
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