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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=79907 Help
TitleDetermination of the cation distribution in Ni Fe2 (P O4)2 using resonant X-ray and neutron powder diffraction.
AuthorsWarner, J.K.;Cheetham, A.K.;Cox, D.E.
ReferenceIC&volume=28&fpage=494&details=yes target=icsd_help>Journal of Applied Crystallography (1995) 28, 494-502
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CompoundFe2 Ni1 O8 P2 - [Graftonite nickelian] Nickel diiron phosphate(V) [AB2C2X8] [mP26] [e6 b] []
Cell5.99587(7), 4.73130(7), 10.37461(12), 90., 90.892(1), 90.
P121/C1 (14) V=294.27
RemarksR=0.025000 : N M =Graftonite nickelian :
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
Fe1(2b)2
Ni1(2b)2
Fe2(4e)2
Ni2(4e)2
P1(4e)5
O1(4e)-2
O2(4e)-2
O3(4e)-2
O4(4e)-2
0.5000.000.26
0.5000.000.74
0.23-.010.280.000.87
0.23-.010.280.000.13
0.250.420.09-.001
0.270.750.100.001
0.250.190.460.001
0.060.310.170.001
0.460.270.160.001

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