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ICSD for WWW : Details

ICSD for WWW

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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=100297 Help
TitleCrystal structure of Sapphirine -1Tc.
AuthorsMerlino, S.
ReferenceZeitschrift fuer Kristallographie (1980) 151, 91-100
Link XRef SCOPUS SCIRUS Google
Also: Nature (1968) 218, 81-82
Link XRef SCOPUS SCIRUS Google
Also: American Mineralogist (1969) 54, 31-49
Link XRef SCOPUS SCIRUS Google
Also: Acta Crystallographica A (1974) 30, 168-133
Link XRef SCOPUS SCIRUS Google
CompoundAl8.05 Fe1.05 Mg3.15 O20 Si1.75 - [Sapphirine 1A] Aluminium magnesium iron alumosilicate * [AB4C9X20] [aP68] [i33 f e] []
Cell9.97(1), 10.34(1), 8.62(1), 107.4(1), 95.2(1), 123.8(1)
P1- (2) V=666.62
RemarksR=0.056000 : MIN =Sapphirine 1A : MXD =Fe : PDF =44-1430 :
Calculated density unusual but tolerable.
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
Mean M-O: 1.94, 1.93, 2.02, 2.09, 2,14, 2.13, 1.93, 1.92, 1.94
PDF 44-1430, mean T-O: 1.753, 1.656, 1.710, 1.743, 1.756, 1.734, occurs together with the 2M-form, cp. 40017

Atom (site) Oxid. x, y, z, B, Occupancy
Al1(2i)3
Fe1(2i)3
Al2(2i)3
Fe2(2i)3
Mg1(2i)2
Fe3(2i)3
Fe4(2i)2
Mg2(2i)2
Fe5(2i)2
Mg3(2i)2
Fe6(2i)2
Mg4(2i)2
Fe7(2i)2
Al3(2i)3
Al4(1e)3
Al5(1f)3
Al6(2i)3
Si1(2i)4
Al7(2i)3
Si2(2i)4
Al8(2i)3
Al9(2i)3
Si3(2i)4
Al10(2i)3
Al11(2i)3
Si4(2i)4
O1(2i)-2
O2(2i)-2
O3(2i)-2
O4(2i)-2
O5(2i)-2
O6(2i)-2
O7(2i)-2
O8(2i)-2
O9(2i)-2
O10(2i)-2
O11(2i)-2
O12(2i)-2
O13(2i)-2
O14(2i)-2
O15(2i)-2
O16(2i)-2
O17(2i)-2
O18(2i)-2
O19(2i)-2
O20(2i)-2
-.19331(24)0.35014(24)-.33486(24)0.28(1)0.9
-.19331(24)0.35014(24)-.33486(24)0.28(1)0.1
0.28520(24)0.33460(24)-.34992(24)0.41(1)0.9
0.28520(24)0.33460(24)-.34992(24)0.41(1)0.1
0.09720(21)0.44457(21)-.44134(22)0.51(1)0.7
0.09720(21)0.44457(21)-.44134(22)0.51(1)0.25
0.09720(21)0.44457(21)-.44134(22)0.51(1)0.05
0.59581(25)0.44010(25)-.44468(25)0.34(1)0.85
0.59581(25)0.44010(25)-.44468(25)0.34(1)0.15
-.29206(24)0.14171(23)-.12497(24)0.22(1)0.8
-.29206(24)0.14171(23)-.12497(24)0.22(1)0.2
0.17631(24)0.12642(24)-.14167(24)0.35(1)0.8
0.17631(24)0.12642(24)-.14167(24)0.35(1)0.2
0.49504(29)0.24213(29)-.24324(29)0.33(1)1
0.50.500.25(1)1
0.500.50.28(1)1
-.27929(25)0.14245(26)0.25324(26)0.10(1)1
0.23096(24)0.14891(24)0.25521(25)0.15(1)0.75
0.23096(24)0.14891(24)0.25521(25)0.15(1)0.25
0.02972(24)0.25277(25)0.15226(25)0.22(1)0.5
0.02972(24)0.25277(25)0.15226(25)0.22(1)0.5
-.46944(24)0.25687(25)0.14106(25)0.15(1)0.75
-.46944(24)0.25687(25)0.14106(25)0.15(1)0.25
0.12785(26)-.06752(26)0.44287(26)0.21(1)1
0.13158(25)0.44095(25)-.06630(25)0.28(1)0.75
0.13158(25)0.44095(25)-.06630(25)0.28(1)0.25
-.25662(65)0.36907(66)-.12270(65)0.42(1)1
0.25648(63)0.37529(65)-.12070(65)0.42(1)1
-.15357(64)0.55747(64)-.33311(65)0.56(1)1
0.34145(61)0.55339(61)-.32942(61)0.37(1)1
0.03568(67)0.45427(67)-.22798(67)0.66(1)1
0.51327(59)0.43765(60)-.2282(6)0.28(1)1
0.14863(63)0.66738(64)-.44563(64)0.62(1)1
0.65481(61)0.67529(61)-.43899(61)0.38(1)1
0.26021(62)-.12186(64)0.37562(65)0.36(1)1
-.25160(63)-.12368(64)0.36635(64)0.35(1)1
0.35506(59)0.10470(61)0.18403(60)0.33(1)1
-.14705(62)0.09620(63)0.17832(63)0.46(1)1
-.05874(61)-.22951(63)0.45478(63)0.46(1)1
-.56642(59)-.22561(60)0.43846(60)0.33(1)1
0.07437(62)-.01327(63)0.28442(62)0.47(1)1
-.45313(62)-.02879(83)0.28135(62)0.39(1)1
-.35526(61)0.18028(62)0.09633(62)0.42(1)1
0.14767(61)0.17971(62)0.10656(62)0.46(1)1
-.02686(62)0.28527(62)-.01583(63)0.49(1)1
0.45114(64)0.28025(64)-.02978(64)0.51(1)1

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