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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=411151 Help
TitleNovel layered lithium nitridonickelates; effect of Li vacancy cancentration on N coordination geometry and Ni oxidation state.
AuthorsBarker, M.G.;Blake, A.J.;Edwards, P.P.;Gregory, D.H.;Hamor, T.A.;Siddons, D.J.;Smith, S.E.
ReferenceChemical Communications (1999) 1999, 1187-1188
Link XRef SCOPUS SCIRUS Google
CompoundLi1 N1 Ni1 - Lithium nickel nitride [ABX] [hP3] [f e b] []
Cell3.758(1), 3.758(1), 3.540(1), 90., 90., 120.
P6-M2 (187) V=43.3
RemarksR=0.062300 : TEM =297 :
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
Ni1(1e)2
N1(1f)-3
Li1(1b)1
0.66670.3333001
0.66670.3333-.501
1.0-.501
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Ni1(1e)2
N1(1f)-3
Li1(1b)1
0.0291(2)0.0291(2)0.0145(2)0.01455(9)00
0.0244(5)0.0244(5)0.0118(7)0.0122(3)00
0.024(3)0.024(3)0.052(10)0.0121(13)00

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