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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
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Also: Nature (1968) 218, 81-82
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Also: IC&volume=54&fpage=31&details=yes target=icsd_help>American Mineralogist (1969) 54, 31-49
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Also: IC&volume=30&fpage=168&details=yes target=icsd_help>Acta Crystallographica A (1974) 30, 168-133
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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 : M =Sapphirine 1A : =Fe : P =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

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
-.190.35-.330.280.9
-.190.35-.330.280.1
0.280.33-.340.410.9
0.280.33-.340.410.1
0.090.44-.440.510.7
0.090.44-.440.510.25
0.090.44-.440.510.05
0.590.44-.440.340.85
0.590.44-.440.340.15
-.290.14-.120.220.8
-.290.14-.120.220.2
0.170.12-.140.350.8
0.170.12-.140.350.2
0.490.24-.240.331
0.50.500.251
0.500.50.281
-.270.140.250.101
0.230.140.250.150.75
0.230.140.250.150.25
0.020.250.150.220.5
0.020.250.150.220.5
-.460.250.140.150.75
-.460.250.140.150.25
0.12-.060.440.211
0.130.44-.060.280.75
0.130.44-.060.280.25
-.250.36-.120.421
0.250.37-.120.421
-.150.55-.330.561
0.340.55-.320.371
0.030.45-.220.661
0.510.43-.220.281
0.140.66-.440.621
0.650.67-.430.381
0.26-.120.370.361
-.25-.120.360.351
0.350.100.180.331
-.140.090.170.461
-.05-.220.450.461
-.56-.220.430.331
0.07-.010.280.471
-.45-.020.280.391
-.350.180.090.421
0.140.170.100.461
-.020.28-.010.491
0.450.28-.020.511

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