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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=89717 Help
TitleRare-earth elements in chlorapatite (Ca10 (P O4)6 Cl2): uptake, site preference, and degradation of monoclinic structure.
AuthorsFleet, M.E.;Liu, X.-Y.;Pan, Y.-M.
ReferenceIC&volume=85&fpage=143&details=yes target=icsd_help>American Mineralogist (2000) 85, 143-144
Link XRef SCOPUS Google
CompoundCa9.66 Cl2 Na0.17 O24 P6 Sm0.17 - [Chlorapatite] Calcium sodium samarium phosphate(V) chloride (9.66/0.17/0.17/6/2) [A3B5XY12] [hP42] [i h4 f e] []
Cell9.6492(3), 9.6492(3), 6.7668(2), 90., 90., 120.
P63/M (176) V=545.63
RemarksR=0.021000 : M =Chlorapatite : T D
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.

Atom (site) Oxid. x, y, z, B, Occupancy
Ca1(4f)2
Na1(4f)1
Sm1(4f)3
Ca2(6h)2
Sm2(6h)3
P1(6h)5
O1(6h)-2
O2(6h)-2
O3(12i)-2
Cl1(4e)-1
0.660.330.001.090.92
0.660.330.001.090.04
0.660.330.001.090.03
0.000.250.251.060.99
0.000.250.251.060.00
0.370.400.250.831
0.490.340.251.301
0.460.590.251.311
0.260.350.061.741
000.441.750.5

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