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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=281703 Help
TitleDetermination of the cation distribution in Fe2 Ni (P O4)2 using isotopic substitution and powder neutron diffraction.
AuthorsHenry, P.F.; Weller, M.T.; Wilson, C.C.
ReferenceJournal of Applied Crystallography (2003) 36, 1361-1367
Link XRef SCOPUS SCIRUS Google
CompoundFe2 Ni1 O8 P2 - [Sarcopside] Diiron nickel bis(phosphate(V)) [A3B3C4X16] [mP26] [e7 b] []
Cell5.994351(10), 4.724935(9), 10.36938(2), 90., 90.8910(1), 90.
P121/C1 (14) V=293.66
RemarksR=0.049800 : MIN =Sarcopside : NDP RVP DEF
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
Fe1(2b)2
Ni1(2b)2
Fe2(4e)2
Ni2(4e)2
O1(4e)-2
O2(4e)-2
O3(4e)-2
O4(4e)-2
P1(4e)5
0.5000.010420.257(14)
0.5000.010420.743(14)
0.23738(3)-.02058(5)0.28099(2)0.010840.871(7)
0.23738(3)-.02058(5)0.28100(2)0.010840.129(7)
0.27781(6)0.74823(9)0.10252(4)0.015581
0.25542(7)0.19207(8)0.46020(4)0.014181
0.06751(6)0.31584(8)0.17846(4)0.014541
0.47010(7)0.27457(9)0.15950(4)0.013481
0.25969(7)0.42521(10)0.09724(5)0.012811
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Fe1(2b)2
Ni1(2b)2
Fe2(4e)2
Ni2(4e)2
O1(4e)-2
O2(4e)-2
O3(4e)-2
O4(4e)-2
P1(4e)5
0.0143(3)0.0061(3)0.0108(3)0.0023(2)0.00020(18)0.0012(2)
0.0143(3)0.0061(3)0.0108(3)0.0023(2)0.00020(18)0.0012(2)
0.0104(3)0.0110(3)0.0111(2)-.00040(15)-.00006(13)-.00225(16)
0.0104(3)0.0110(3)0.0111(2)-.00040(15)-.00006(13)-.00225(16)
0.0158(3)0.0187(4)0.0123(4)-.0015(3)0.0010(2)-.0023(2)
0.0178(3)0.0161(3)0.0087(4)-.0025(2)0.0003(2)-.0008(2)
0.0104(4)0.0169(3)0.0164(3)0.0023(2)0.0022(2)0.0032(3)
0.0156(3)0.0092(4)0.0156(3)0.0016(3)-.0019(2)0.0027(3)
0.0151(4)0.0119(4)0.0116(4)-.0028(3)0.0037(3)-.0004(3)

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