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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:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
CC=63435 Help
TitleReappraisal of the crystal chemistry of beryl.
AuthorsAurisicchio, C.;Fioravanti, G.;Grubessi, O.;Zanazzi, P.F.
ReferenceAmerican Mineralogist (1988) 73, 826-837
Link XRef SCOPUS SCIRUS Google
CompoundAl1.493 Be2.942 Fe0.173 Li0.019 Mg0.338 Na0.443 O18 Si6.036 - [Beryl] Aluminium iron iron(III) magnesium beryllium lithium sodium cyclo-hexasilicate * [AB4C6D12X36] [hP59] [m l2 f c a] []
Cell9.2676(6), 9.2676(6), 9.1945(3), 90., 90., 120.
P6/MCC (192) V=683.9
RemarksR=0.031000 : MIN =Beryl : MXD =Fe : PDF =9-430 : DEF

Atom (site) Oxid. x, y, z, B, Occupancy
Si1(12l)4
Be1(6f)2
Li1(6f)1
Si2(6f)4
Al1(6f)3
Al2(4c)3
Fe1(4c)3
Fe2(4c)2
Mg1(4c)2
O1(12l)-2
O2(24m)-2
Na1(2a)1
0.3858(1)0.1128(1)001
0.500.250.006(1)0.981
0.500.250.006(1)0.006
0.500.250.006(1)0.012
0.500.250.006(1)0.001
0.66670.33330.2500.744
0.66670.33330.2500.006
0.66670.33330.2500.081
0.66670.33330.2500.17
0.3045(1)0.2305(1)001
0.4951(1)0.1424(1)0.1451(1)01
000.2500.443
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Si1(12l)4
Be1(6f)2
Li1(6f)1
Si2(6f)4
Al1(6f)3
Al2(4c)3
Fe1(4c)3
Fe2(4c)2
Mg1(4c)2
O1(12l)-2
O2(24m)-2
Na1(2a)1
0.0041(2)0.0038(2)0.0036(2)0.0023(1)00
000000
000000
000000
000000
0.0053(2)0.0053(2)0.0057(3)0.0026(1)00
0.0053(2)0.0053(2)0.0057(3)0.0026(1)00
0.0053(2)0.0053(2)0.0057(3)0.0026(1)00
0.0053(2)0.0053(2)0.0057(3)0.0026(1)00
0.0122(5)0.0099(5)0.0178(5)0.0089(4)00
0.0109(4)0.0106(3)0.0064(3)0.0068(3)-.0027(2)-.0006(2)
0.0709(1)0.0709(1)0.0431(1)0.0354(1)00

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