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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=280764 Help
TitleOn the new oxovanadium phosphate Na Zn V O P O4 (H P O4) obtained at 510 K from hydrothermal treatment.
Authorsle Fur, E.;Moreno, Y.;Pivan, J.Y.
ReferenceJournal of Materials Chemistry (2001) 11, 1735-1739
Link XRef SCOPUS Google
CompoundH1 Na1 O9 P2 V1 Zn1 - Sodium zincovanado(IV)phosphate(V) hydrogenphosphate(V) [ABCD2X9] [mP60] [e14] []
Cell8.5441(2), 8.9831(2), 9.0836(2), 90., 91.2410(15), 90.
P121/C1 (14) V=697.03
RemarksR=0.025900 : TEM =300 :
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.

Atom (site) Oxid. x, y, z, B, Occupancy
Zn1(4e)2
V1(4e)4
P1(4e)5
P2(4e)5
Na1(4e)1
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
0.15008(4)0.33834(4)0.58506(4)01
-.43812(6)0.00057(5)0.74441(5)01
-.51063(8)0.25154(8)1.00164(7)01
-.03731(9)0.12864(8)0.77624(8)01
-.1928(2)0.03019(15)0.47822(14)01
0.0842(3)0.1033(3)0.8937(2)01
-.1544(2)-.0008(2)0.7625(2)01
-.4151(2)0.1511(2)0.9034(2)01
-.3933(2)0.1607(2)0.5986(2)01
-.3783(2)-.1454(2)0.5848(2)01
-.6233(3)-.0162(3)0.7299(2)01
0.0356(3)0.1542(2)0.6260(2)01
-.3816(2)-.1590(2)0.8965(2)01
-.1331(3)0.2745(3)0.8132(3)01.
01.
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Zn1(4e)2
V1(4e)4
P1(4e)5
P2(4e)5
Na1(4e)1
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
0.0105(2)0.0107(2)0.0100(2)-.00152(12)-.00194(12)-.00012(12)
0.0085(2)0.0050(2)0.0057(2)0.0000(2)-.0007(2)0.00009(15)
0.0078(3)0.0043(3)0.0055(3)-.0003(2)-.0001(2)0.0000(2)
0.0087(3)0.0087(3)0.0097(3)-.0009(2)-.0003(2)-.0015(2)
0.0151(6)0.0179(6)0.0165(6)0.0007(5)0.0014(5)-.0007(5)
0.0165(11)0.0273(13)0.013(1)0.0002(10)-.0066(8)-.0032(9)
0.0105(10)0.0088(9)0.0109(9)-.0020(7)-.0004(7)0.0012(7)
0.0108(10)0.0095(9)0.0106(9)0.0007(7)-.0003(7)-.0044(7)
0.0118(10)0.0076(9)0.0085(9)0.0021(7)-.0009(7)0.0033(7)
0.0116(10)0.0088(9)0.0085(9)-.0003(7)-.0003(7)-.0037(7)
0.011(1)0.0173(11)0.0177(10)-.0011(8)-.0015(8)-.0009(8)
0.0152(11)0.0129(10)0.0106(9)-.0041(8)0.0020(8)0.0006(8)
0.0093(9)0.0082(9)0.0095(9)-.0008(7)-.0011(7)0.0042(7)
0.0127(11)0.0136(11)0.0377(14)0.0038(9)-.0009(10)-.0113(10)
000000

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