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ICSD for WWW : Details

ICSD for WWW

Details of the selected entries


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=53152 Help
TitleThe crystal chemistry of staurolite. I. Crystal structure and site populations.
AuthorsHawthorne, F.C.;Ungaretti, L.;Oberti, R.;Caucia, F.;Callegari, A.
ReferenceCanadian Mineralogist (1993) 31, 551-582
Link XRef SCOPUS SCIRUS Google
CompoundH2.68 Al17.9 Fe3.53 Li0.09 Mg0.78 O48 Si7.67 - [Staurolite] Aluminium magnesium iron(III) iron lithium alumosilicate hydroxide * [AB43C89D201X533] [mS81] [j7 i3 h g d c b a] []
Cell7.8744(5), 16.6253(13), 5.6625(3), 90., 90.014(4), 90.
C12/M1 (12) V=741.3
RemarksR=0.019100 : DEF MIN =Staurolite : MXD =Al : PDF =41-1484 :
Atomic parameters from author (Oberti), nearly orthorhombic
Fe stands for (Fe, Mn, Co, Cr, Ti), some Zn for Fe1
PDF 41-1484, mean T-O: 1.643, 2.004, sample S(7)

Atom (site) Oxid. x, y, z, B, Occupancy
O1(4i)-2
O2(4i)-2
O3(8j)-2
O4(8j)-2
O5(8j)-2
O6(8j)-2
O7(8j)-2
Si1(8j)4
Al1(8j)3
Fe1(4i)2.05
Al2(4i)3.2
Li1(4i)1
Mg1(4i)2
Al3(4g)3
Fe3(4g)2
Mg3(4g)2
Al4(4h)3
Fe4(4h)2
Mg4(4h)2
Al5(8j)3
Mg5(8j)2
Fe5(8j)2
Al6(2a)3
Mg6(2a)2
Al7(2c)3
Mg7(2c)2
Fe8(2b)2
Fe9(2d)2
H1(8j)1
0.23469(5)00.96491(5)01
0.23498(5)00.53482(5)01
0.25508(5)0.16121(4)0.01526(5)01
0.25501(5)0.16121(4)0.48439(5)01
0.00128(5)0.08881(4)0.24949(5)01
0.02144(5)0.24929(4)0.24993(5)01
0.52681(5)0.10019(4)0.24997(5)01
0.13411(5)0.16606(4)0.24981(5)00.96
0.13411(5)0.16606(4)0.24981(5)00.04
0.39110(5)00.24963(5)00.8
0.39110(5)00.24963(5)00.02
0.39110(5)00.24963(5)00.02
0.39110(5)00.24963(5)00.12
0.50.17529(5)000.96
0.50.17529(5)000.015
0.50.17529(5)000.025
0.50.17527(5)0.500.96
0.50.17527(5)0.500.015
0.50.17527(5)0.500.025
0.26276(5)0.41056(4)0.25023(5)00.975
0.26276(5)0.41056(4)0.25023(5)00.01
0.26276(5)0.41056(4)0.25023(5)00.015
00000.515
00000.025
000.500.48
000.500.02
0.5000.9640.025
0.500.51.210.02
00.335
Atom (site) Oxid. Beta11, Beta22, Beta33, Beta12, Beta13, Beta23
O1(4i)-2
O2(4i)-2
O3(8j)-2
O4(8j)-2
O5(8j)-2
O6(8j)-2
O7(8j)-2
Si1(8j)4
Al1(8j)3
Fe1(4i)2.05
Al2(4i)3.2
Li1(4i)1
Mg1(4i)2
Al3(4g)3
Fe3(4g)2
Mg3(4g)2
Al4(4h)3
Fe4(4h)2
Mg4(4h)2
Al5(8j)3
Mg5(8j)2
Fe5(8j)2
Al6(2a)3
Mg6(2a)2
Al7(2c)3
Mg7(2c)2
Fe8(2b)2
Fe9(2d)2
H1(8j)1
0.00360.00040.006900.00120
0.00390.00040.00720-.00110
0.00160.00040.0037-.00010-.0002
0.00160.00040.0037-.0001-.00010.0002
0.00140.00050.0088-.0001-.00010
0.00190.00030.00370.000100
0.00140.00040.00380-.00010
0.00110.00030.003000
0.00110.00030.003000
0.00630.00040.0134000
0.00630.00040.0134000
0.00630.00040.0134000
0.00630.00040.0134000
0.00160.00040.0029000
0.00160.00040.0029000
0.00160.00040.0029000
0.00160.00040.0029000
0.00160.00040.0029000
0.00160.00040.0029000
0.00140.00040.005300.00010
0.00140.00040.005300.00010
0.00140.00040.005300.00010
0.00150.00040.004400.00150
0.00150.00040.004400.00150
0.00150.00030.00430-.00130
0.00150.00030.00430-.00130
000000
000000
000000

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