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ICSD for WWW : Details

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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=67528 Help
TitleAttakolite new data and crystal-structure determination.
AuthorsGrice, J.D.;Dunn, P.J.
ReferenceAmerican Mineralogist (1992) 77, 1285-1291
Link XRef SCOPUS SCIRUS Google
CompoundH5 Al4 Ca1 Mn1 O20 P3 Si1 - [Attakolite] Calcium magnesium aluminium hydrogensilicate phosphate hydroxide * [ABCD3X20] [mS140] [j10 i9 g] []
Cell17.1880(40), 11.477(8), 7.322(5), 90., 113.83(4), 90.
C12/M1 (12) V=1321.25
RemarksR=0.026000 : PDF =18-146 : XDP MIN =Attakolite :
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 18-146 (orthorhombic cell)

Atom (site) Oxid. x, y, z, B, Occupancy
Ca1(4g)2
Mn1(4i)2
Al1(8j)3
Al2(8j)3
Si1(4i)4
P1(4i)5
P2(8j)5
O1(4i)-2
O2(4i)-2
O3(8j)-2
O4(8j)-2
O5(8j)-2
O6(8j)-2
O7(4i)-2
O8(8j)-2
O9(8j)-2
O10(4i)-2
O11(4i)-2
O12(8j)-2
O13(4i)-2
H1(4i)1
H2(4i)1
H3(8j)1
H4(4i)1
00.2592(1)001
0.2870(1)00.0488(1)01
0.1329(1)0.3670(1)0.4964(1)01
0.1190(1)0.1292(1)0.7685(1)01
0.0515(1)00.3308(1)01
0.4664(1)00.2349(1)01
0.2094(1)0.2534(1)0.1948(1)01
0.4068(2)00.3532(4)01
0.4045(2)00.0169(4)01
-.0057(1)-.1135(2)0.2474(2)01
0.2691(1)0.1472(2)0.2618(2)01
0.2621(1)0.3610(2)0.1893(2)01
0.1629(1)0.2742(2)0.3297(2)01
0.0948(2)0-.4268(4)01
0.5228(1)-.1091(2)0.2854(2)01
0.1395(1)0.2315(2)-.0145(2)01
0.1258(2)00.2566(4)01.
0.1770(2)0.50.4372(4)01.
0.0884(1)0.2440(2)0.5809(2)01.
0.1546(2)0-.0609(4)01.
0.339(3)0.5-.321(8)0.031
0.682(3)00.357(7)0.031
0.555(2)-.226(4)0.510(5)0.031
0.152(3)00.021(8)0.031
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ca1(4g)2
Mn1(4i)2
Al1(8j)3
Al2(8j)3
Si1(4i)4
P1(4i)5
P2(8j)5
O1(4i)-2
O2(4i)-2
O3(8j)-2
O4(8j)-2
O5(8j)-2
O6(8j)-2
O7(4i)-2
O8(8j)-2
O9(8j)-2
O10(4i)-2
O11(4i)-2
O12(8j)-2
O13(4i)-2
H1(4i)1
H2(4i)1
H3(8j)1
H4(4i)1
0.0109(3)0.0146(3)0.0101(2)00.0063(2)0
0.0054(2)0.0116(3)0.0125(93)00.0013(2)0
0.0071(4)0.0058(4)0.0071(4)0.0006(3)0.0027(3)-.0009(3)
0.0068(4)0.0060(4)0.0064(4)0.0000(3)0.0024(3)-.0006(3)
0.0062(4)0.0061(4)0.0057(4)00.0020(3)0
0.0061(4)0.0071(4)0.0070(4)00.0030(3)0
0.0056(2)0.0057(3)0.0060(2)-.0003(2)0.0025(2)-.0001(2)
0.008(1)0.012(1)0.011(1)00.0056(9)0
0.010(1)0.018(1)0.008(1)00.0027(9)0
0.0081(7)0.0082(9)0.0091(8)-.0003(6)0.0030(6)-.0002(7)
0.0070(7)0.0072(8)0.0073(7)-.0005(6)0.0020(6)0.0013(6)
0.0083(7)0.0076(8)0.0112(8)0.0009(7)0.0041(6)-.0006(7)
0.0118(8)0.0104(9)0.0119(8)-.0016(7)0.0084(7)-.0006(6)
0.011(1)0.007(1)0.009(1)00.004(1)0
0.0079(8)0.0076(8)0.0113(8)-.0001(7)0.0034(7)0.0010(6)
0.0078(7)0.0096(9)0.0074(7)-.0012(7)0.0018(6)0.0006(6)
0.015(1)0.020(1)0.012(1)00.009(1)0
0.012(1)0.009(1)0.009(1)0.000(1)0.007(1)0
0.0051(8)0.0109(8)0.0070(8)0.0015(7)0.0004(6)-.0019(7)
0.010(1)0.007(1)0.006(1)00.004(1)0.008(1)
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