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ICSD for WWW : Details

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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=65794 Help
TitleStructure refinements of Mg2 Ti O4, Mg Ti O3 and Mg Ti2 O5 by time-of-flight neutron powder diffraction.
AuthorsWechsler, B.A.;von Dreele, R.B.
ReferenceActa Crystallographica B (1989) 45, 542-549
Link XRef SCOPUS SCIRUS Google
CompoundMg1 O3 Ti1 - [Geikielite] Magnesium titanium oxide [ABX3] [hR10] [f c2] []
Cell5.05478(26), 5.05478(26), 13.8992(7), 90., 90., 120.
R3-H (148) V=307.56
RemarksR=0.025700 : NDP PDF =6-494 : RVP MIN =Geikielite :
Calculated density unusual but tolerable.

Atom (site) Oxid. x, y, z, B, Occupancy
Mg1(6c)2
Ti1(6c)4
O1(18f)-2
000.35570(5)01
000.14510(7)01
0.31591(8)0.02146(8)0.24635(3)01
Atom (site) Oxid. U11, U22, U33, U12, U13, U23
Mg1(6c)2
Ti1(6c)4
O1(18f)-2
0.0050(2)0.0050(2)0.0055(2)0.0025(1)00
0.0035(2)0.0035(2)0.0042(3)0.0018(1)00
0.0040(2)0.0041(2)0.0059(2)0.0016(1)0.0010(1)0.0013(1)

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