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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=86770 Help
TitleLayered acid arsenates alpha-M (H As O4)2 . (H2 O) (M = Ti, Sn, Pb): synthesis optimization and crystal structures.
AuthorsLosilla, E.R.;Salvado, M.A.;Aranda, M.A.G.;Cabeza, A.;Pertierra, P.;Garcia-Granda, S.;Bruque, S.
ReferenceJournal of Molecular Structure (1998) 470, 93-104
Link XRef SCOPUS SCIRUS Google
CompoundH4 As2 O9 Pb1 - Lead(IV) bis(hydrogenarsenate(V)) hydrate - alpha [AB2X9] [mP64] [e12] []
Cell8.9212(7), 5.1280(4), 16.293(2), 90., 100.08(1), 90.
P121/N1 (14) V=733.87
RemarksR=0.020000 : XDP RVP
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.

Atom (site) Oxid. x, y, z, B, Occupancy
Pb1(4e)4
As1(4e)5
As2(4e)5
O1(4e)-2
O2(4e)-2
O3(4e)-2
O4(4e)-2
O5(4e)-2
O6(4e)-2
O7(4e)-2
O8(4e)-2
O9(4e)-2
H1(4e)1
0.2479(4)0.2587(12)0.49045(16)0.32(6)1
0.3933(8)0.7397(27)0.3858(4)0.83(7)1
0.8681(9)0.2349(22)0.39788(33)0.83(7)1
0.5488(16)0.818(5)0.4556(9)0.05(23)1
0.3449(20)0.4298(28)0.4016(20)0.05(23)1
0.2495(13)0.9384(34)0.3993(18)0.05(23)1
0.4295(22)0.775(8)0.2892(6)0.05(23)1.
0.7405(21)0.345(4)0.4541(11)0.05(23)1
0.9052(19)-.0803(23)0.4203(18)0.05(23)1
0.0296(13)0.4084(29)0.4218(16)0.05(23)1
0.7979(21)0.268(7)0.2960(5)0.05(23)1.
0.004(5)0.724(8)0.2623(17)0.05(23)1.
04.

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