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ICSD for WWW : Details

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1 entry selected.
CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=100872 Help
TitleThe Arrojadite -Dickinsonite series, K Na4 Ca (Fe, Mn)14 Al (O H)2 (P O4)12: crystal structure and crystal chemistry.
AuthorsMoore, P.B.;Araki, T.;Merlino, S.;Mellini, M.;Zanazzi, P.F.
ReferenceAmerican Mineralogist (1981) 66, 1034-1049
Link XRef SCOPUS SCIRUS Google
CompoundH1 Al1 Ca1 F1 Fe8.5 K1 Mn4.5 Na5 O49 P12 - [Arrojadite] Potassium sodium calcium iron aluminium fluoride phosphate * [ABCD5X50] [mS336] [f43 e3 b a] []
Cell24.730(5), 10.057(3), 16.5260(40), 90., 105.78(3), 90.
A12/A1 (15) V=3955.28
RemarksR=0.063000 : DEF MIN =Arrojadite : PDF =34-149 :
Deviation of the charge sum from zero tolerable.
At least one temperature factor missing in the paper.
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.
PDF 34-149, dickinsonite has Mn>Fe
The thermal parameters are deposited in the business office, Mineralogical Society of America

Atom (site) Oxid. x, y, z, B, Occupancy
Al1(4b)3
Fe1(8f)2
Fe2(8f)2
Fe3(8f)2
Fe4(8f)2
Fe5(8f)2
Fe6(8f)2
Fe7(8f)2
Mn1(8f)2
Mn2(8f)2
Mn3(8f)2
Mn4(8f)2
Mn5(8f)2
Mn6(8f)2
Mn7(8f)2
Ca1(8f)2
Na1(8f)1
Na2(4a)1
Na3(4e)1
Na4(4e)1
K1(4e)1
Na5(8f)1
P1(8f)5
O1(8f)-2
O2(8f)-2
O3(8f)-2
O4(8f)-2
P2(8f)5
O5(8f)-2
O6(8f)-2
P3(8f)5
O7(8f)-2
O8(8f)-2
O9(8f)-2
O10(8f)-2
P4(8f)5
O11(8f)-2
O12(8f)-2
O13(8f)-2
O14(8f)-2
P5(8f)5
O15(8f)-2
O16(8f)-2
O17(8f)-2
O18(8f)-2
P6(8f)5
O19(8f)-2
O20(8f)-2
O21(8f)-2
O22(8f)-2
P7(8f)5
O23(8f)-2
O24(8f)-2
O25(8f)-2
O26(8f)-2
F1(8f)-1
O27(8f)-2
H1(8f)1
00.5001
0.4738(1)0.8957(2)0.2201(1)00.327
0.2674(1)0.0078(1)0.2123(1)00.654
0.1394(1)0.0142(1)0.1066(1)00.654
0.4036(1)0.2496(1)0.0222(1)00.654
0.4004(1)0.7434(1)0.0334(1)00.654
0.3517(1)0.6992(1)0.2044(1)00.654
0.3432(1)0.2954(1)0.2193(1)00.654
0.4738(1)0.8957(2)0.2201(1)00.173
0.2674(1)0.0078(1)0.2123(1)00.346
0.1394(1)0.0142(1)0.1066(1)00.346
0.4036(1)0.2496(1)0.0222(1)00.346
0.4004(1)0.7434(1)0.0334(1)00.346
0.3517(1)0.6992(1)0.2044(1)00.346
0.3432(1)0.2954(1)0.2193(1)00.346
0.4848(1)0.2223(3)0.2322(2)00.5
0.1202(2)0.5150(4)0.1289(4)01
00001
0.250.1460(18)000.5
0.250.9192(27)000.5
0.250.5043(5)001
0.4567(4)0.9417(9)0.2077(6)00.5
0.3662(1)0.0085(3)0.1130(2)00.5
0.3675(3)0.0614(5)0.0250(3)01
0.3635(3)-.1416(5)0.1120(4)01
0.3220(4)0.0770(7)0.1426(5)00.5
0.4222(5)0.0462(10)0.1807(6)00.5
0.3354(2)0.9948(5)0.0799(3)00.5
0.2720(9)0.9678(24)0.0234(14)00.5
0.4222(5)0.0462(10)0.1807(6)00.5
0.4246(1)0.4670(1)0.1303(1)01
0.4450(2)0.4448(5)0.0501(3)01
0.3924(3)0.5879(5)0.1213(3)01
0.3871(3)0.3445(5)0.1301(4)01
0.4733(3)0.4637(7)0.2103(4)01
0.0385(1)0.2518(2)0.1259(1)01
0.0751(2)0.1664(5)0.0842(3)01
0.0360(2)0.3951(5)0.0941(3)01
-.0206(2)0.1891(6)0.1078(4)01
0.0623(2)0.2533(6)0.2224(3)01
0.0474(1)0.7673(2)0.1023(1)01
0.0482(2)0.6428(5)0.0467(3)01
0.0794(2)0.8719(5)0.0652(3)01
-.0126(2)0.8139(6)0.0961(4)01
0.0770(3)0.7357(6)0.1939(3)01
0.2115(1)0.7241(2)0.1304(1)01
0.1703(3)0.6785(6)0.0484(4)01
0.2703(2)0.6781(6)0.1315(4)01
0.2088(3)0.8773(6)0.1395(5)01
0.1938(3)0.6604(6)0.2044(4)01
0.2045(1)0.2972(2)0.1425(1)01
0.1653(2)0.3402(6)0.0583(4)01
0.2632(3)0.3509(8)0.1516(6)01
0.2052(2)0.1447(5)0.1489(4)01
0.1824(3)0.3541(6)0.2156(4)01
0.1383(3)0.0013(5)0.2315(3)00.5
0.1383(3)0.0013(5)0.2315(3)00.5
00.5

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