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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=95625 Help
TitleStructural modifications of dodecatungstophosphoric acid hexahydrate induced by temperature in the 10 - 358 K range. In situ high-resolution neutron powder diffraction investigation.
AuthorsKremenovic, A.;Spasojevic-de Bire, A.;Bouree, F.;Colomban, P.;Dimitrijevic, R.;Davidovic, M.;Mioc, U.B.
ReferenceSolid State Ionics (2002) 150, 431-442
Link XRef SCOPUS SCIRUS Google
CompoundH4.5 D10.5 O46 P1 W12 - Hydrogen deuterium dodecatungstophosphate(V) dideuteriohydrate hydrate (0.9/2.1/1/3.6/8.4) [AB12X46] [cP148] [l k4 h e d a] []
Cell12.1607(3), 12.1607(3), 12.1607(3), 90, 90, 90
PN3-MZ (224) V=1798.36
RemarksR=0.022700 : NDP RVP TEM =338 : DEF

Atom (site) Oxid. x, y, z, B, Occupancy
W1(24k)6
P1(2a)5
O1(8e)-2
O2(24k)-2
O3(24k)-2
O4(24k)-2
O5(24h)-2
H1(48l)1
D1(48l)1
H2(6d)1
D2(6d)1
0.7575(5)0.9564(3)0.9564(3)0.019(1)1
0.7500.7500.7500.021(4)1
0.8167(3)0.8167(3)0.8167(3)0.016(2)1
0.6556(2)0.6556(2)0.5073(4)0.0160(8)1
0.8733(4)0.8733(4)0.0218(4)0.022(1)1
0.7332(5)0.0531(3)0.0531(3)0.029(1)1
0.7500.1499(8)0.2500.048(3)0.5
0.746(1)0.107(1)0.1841(9)0.039(3)0.15
0.746(1)0.107(1)0.1841(9)0.039(3)0.35
0.7500.2500.2500.045(2)0.3
0.7500.2500.2500.045(2)0.7

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