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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:
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CC=87782 Help
TitleAn in situ microcrystal X-ray diffraction study of the synthetic aluminophosphate zeotypes DAF-1 and CoAPSO-44.
AuthorsMuncaster, G.;Sankar, G.;Catlow, C.R.A.;Thomas, J.M.;Bell, R.G.;Wright, P.A.;Coles, S.;Teat, S.J.;Clegg, W.;Reeve, W.
ReferenceChemistry of Materials (1999) 11, 158-163
Link XRef SCOPUS SCIRUS Google
CompoundAl0.96 Co0.06 Na0.09 O4 P1 - [Unnamed] Sodium cobalt aluminium phosphate(V) (0.09/0.06/0.96/1) [A9B9NX36] [hR37] [f6 c] []
Cell13.6888(7), 13.6888(7), 14.8893(11), 90., 90., 120.
R3-H (148) V=2416.22
RemarksR=0.054000 : DEF MIN =Unnamed : TEM =473 :
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.
A site occupation is implausible or meaningless but agrees with the paper.

Atom (site) Oxid. x, y, z, B, Occupancy
P1(18f)5
Al1(18f)3
Co1(18f)2
O1(18f)-2
O2(18f)-2
O3(18f)-2
O4(18f)-2
Na1(6c)0
0.7708(1)-.0039(1)0.1073(1)0.021(1)1
0.7734(1)0.7695(1)0.1016(1)0.022(1)0.96
0.7734(1)0.7695(1)0.1016(1)0.022(1)0.06
0.7605(2)0.8831(2)0.1323(2)0.041(1)1
0.6921(2)0.0154(2)0.1681(2)0.040(1)1
0.8931(2)0.0890(2)0.1216(2)0.046(1)1
0.7357(3)-.0044(2)0.0097(2)0.045(1)1
000.17050.065(5)0.27

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