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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=82072 Help
TitleStructural study of P4 W14 O50, a new odd member in the series (P O2)4 (W O3)2m.
AuthorsRoussel, P.;Labbe, Ph.;Groult, D.;Domenges, B.;Leligny, H.;Grebille, D.
ReferenceJournal of Solid State Chemistry (1996) 122, 281-290
Link XRef SCOPUS SCIRUS Google
CompoundO50 P4 W14 - Phosphorus tungsten oxide (4/14/50) [A2B7X25] [mP68] [e16 d c] []
Cell5.291(1), 6.557(2), 26.6540(80), 90., 90.19, 90.
P121/N1 (14) V=924.7
RemarksR=0.057000 : TEM =294 :
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
W1(2c)6
W2(4e)6
W3(4e)6
W4(4e)6
P1(4e)4
O1(2d)-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
O10(4e)-2
O11(4e)-2
O12(4e)-2
O13(4e)-2
00.5001
0.0075(4)0.1559(1)0.11356(2)01
-.0037(4)-.0076(1)0.32965(2)01
0.0005(4)0.3276(1)0.44405(2)01
0.482(1)0.3013(7)0.2911(1)0.18(5)1
0.5000.9(2)1
0.495(7)0.167(2)0.5600(5)0.7(2)1
0.017(5)0.155(3)0.3849(5)0.9(2)1
0.017(6)-.006(3)0.1768(5)0.6(2)1
0.529(4)0.362(2)0.2368(5)0.7(2)1
0.285(4)0.190(3)0.4681(7)0.7(2)1
0.785(4)0.145(3)0.4754(7)0.7(2)1
0.283(4)0.017(3)0.0927(6)0.6(2)1
0.786(4)-.023(3)0.0834(6)0.8(2)1
0.231(4)0.347(3)0.1512(7)0.8(3)1
0.725(4)0.310(4)0.1443(8)0.9(3)1
0.229(4)0.201(4)0.2965(7)0.9(3)1
0.701(5)0.158(4)0.3050(8)1.2(3)1
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
W1(2c)6
W2(4e)6
W3(4e)6
W4(4e)6
P1(4e)4
O1(2d)-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
O10(4e)-2
O11(4e)-2
O12(4e)-2
O13(4e)-2
0.0102(4)0.0048(2)0.0054(4)-.0016(5)-.0003(4)0.0007(1)
0.0075(3)0.0026(2)0.0047(4)-.0002(3)0.0002(3)0.00057(9)
0.0065(3)0.0020(2)0.0032(4)0.0008(4)0.0005(3)-.0009(9)
0.0092(3)0.0044(2)0.0050(4)0.0005(4)-.0010(3)-.00084(9)
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