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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=280999 Help
TitleNew phosphate langbeinites, K2 M Ti (P O4)3 (M = Er, Yb or Y) and an alternative description of the langbeinite framework.
AuthorsNorberg, S.T.
ReferenceIC&volume=58&fpage=743&details=yes target=icsd_help>Acta Crystallographica B (2002) 58, 743-749
Link XRef SCOPUS Google
CompoundCr1 K2 O12 P3 Ti1 - [Unnamed_Langbeinite] Dipotassium chromium titanium tris(phosphate(V)) [ABC2D3X12] [cP76] [b5 a4] [K2Mg2(SO4)3]
Cell9.8001(2), 9.8001(2), 9.8001(2), 90., 90., 90.
P213 (198) V=941.22
RemarksR=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
0.040.54-.040.021
-.180.310.180.011
-.160.660.330.000.38
-.160.660.330.000.61
0.390.600.100.000.61
0.390.600.100.000.38
0.120.470.290.001
0.100.320.250.011
-.010.550.270.011
0.170.480.440.011
0.220.540.200.011
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
0.020.020.020.00-0.0-0.0
0.010.010.01-0.00.000.00
0.000.000.000.00-0.0-0.0
0.000.000.000.00-0.0-0.0
0.000.000.00-0.00.000.00
0.000.000.00-0.00.000.00
0.000.000.000.000.00-0.0
0.010.000.010.000.00-0.0
0.010.010.010.000.00-0.0
0.010.010.00-0.0-0.00.00
0.010.010.01-0.00.000.00

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