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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=95409 Help
TitleComparison of the high-pressure and low-temperature structures of sulfuric acid.
AuthorsAllan, D.R.;Clark, S.J.;Dawson, A.;McGregor, P.;Parsons, S.
ReferenceJournal of the Chemical Society, Dalton Transactions (2002) 2002, 1867-1871
Link XRef SCOPUS SCIRUS Google
CompoundH2 O4 S1 - Sulfuric acid - HP [AX4] [mP28] [e5] []
Cell7.695(13), 4.559(7), 8.378(3), 90, 107.42(8), 90
P121/C1 (14) V=280.43
RemarksR=0.059900 : PRE =700 :
At least one temperature factor missing in the paper.

Atom (site) Oxid. x, y, z, B, Occupancy
S1(4e)6
O1(4e)-2
O2(4e)-2
O3(4e)-2
O4(4e)-2
H1(4e)1
H2(4e)1
0.2639(8)0.0672(9)0.1787(4)01
0.0994(17)0.889(3)0.1901(16)01
0.316(2)-0.065(2)0.0318(12)01
0.4062(15)0.034(2)0.3289(11)01
0.199(2)0.3538(19)0.1292(13)01
0.1310.7110.20901
0.380.780.06401

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