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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=84502 Help
TitleHigh-temperature neutron scattering investigation of the beta' phase in the Mg - Zr - O - N system.
AuthorsLerch, M.;Boysen, H.;Radaelli, P.G.
ReferenceJournal of Physics and Chemistry of Solids (1997) 58, 1557-1568
Link XRef SCOPUS SCIRUS Google
CompoundMg0.14 N1.968 O11.465 Zr6.86 - Zirconium magnesium oxide nitride (6.86/0.14/11.47/1.97) beta' [A42X14Y67] [hR41] [f7 c b a] []
Cell9.6261(6), 9.6261(6), 17.6606(7), 90., 90., 120.
R3-H (148) V=1417.22
RemarksR=0.083000 : DEF NDP RVP TEM =1148 :
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.
Deviation of the charge sum from zero tolerable.

Atom (site) Oxid. x, y, z, B, Occupancy
Zr1(3a)4
Mg1(3a)2
Zr2(3b)4
Mg2(3b)2
Zr3(18f)4
Mg3(18f)2
Zr4(18f)4
Mg4(18f)2
O1(6c)-2
O2(18f)-2
O3(18f)-2
O4(18f)-2
O5(18f)-2
N1(18f)-3
O6(18f)-2
0000.9(3)0.98
0000.9(3)0.02
000.51.5(4)0.98
000.51.5(4)0.02
0.2141(8)0.2541(8)0.1737(4)1.6(1)0.98
0.2141(8)0.2541(8)0.1737(4)1.6(1)0.02
0.2377(9)0.0483(10)0.3275(5)2.5(2)0.98
0.2377(9)0.0483(10)0.3275(5)2.5(2)0.02
000.3613(10)2.3(4)1
0.2322(10)0.0632(11)0.4517(5)1.7(2)1
0.2157(13)0.2510(11)0.2944(5)2.3(2)1
0.2115(9)0.0313(10)0.1979(4)1.0(1)1
0.182(3)0.232(4)0.037(2)2.1(2)0.383(33)
0.190(1)0.187(2)0.0619(9)2.1(2)0.656(41)
0.190(1)0.187(2)0.0619(9)2.1(2)0.105(63)

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