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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=74904 Help
TitleSynthesis and structure of Ba(ZrN2) and Ba2(NbN3).
AuthorsSeeger, O.;Hofmann, M.;Straehle, J.
ReferenceZeitschrift fuer Anorganische und Allgem (1994) 620, 200-201
Link XRef SCOPUS Google
CompoundBa1 N2 Zr1 - Barium dinitridozirconate [ABX2] [tP8] [c3 b] []
Cell4.1610(2), 4.1610(2), 8.392(1), 90., 90., 90.
P4/NMMZ (129) V=145.3
RemarksR=0.057000 : X
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
Ba1(2c)2
Zr1(2c)4
N1(2b)-3
N2(2c)-3
0.250.250.8401
0.250.250.4101
0.750.250.501
0.250.250.1701
Atom (site) Oxid. Beta11, Beta22, Beta33, Beta12, Beta13, Beta23
Ba1(2c)2
Zr1(2c)4
N1(2b)-3
N2(2c)-3
0.010.010.01000
0.020.020.00000
-.01-.010.04000
0.060.060.02000

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