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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=44273 Help
TitleDirect determination of self-consistent total energies and and charge densities of solids: a study of the cohesive properties of the alkali halides.
AuthorsCortona, P.
ReferencePhysical Review, Serie 3. B - Condensed (1992) 46, 200-201
Link XRef SCOPUS Google
CompoundCl1 Li1 - Lithium chloride [AX] [cF8] [b a] [NaCl]
Cell5.08, 5.08, 5.08, 90., 90., 90.
FM3-M (225) V=131.1
RemarksP =4-664 : T =NaCl :
At least one temperature factor missing in the paper.
No R value given in the paper.
Measured cell at 298 K: 5.14; at 0 K: 5.11

Atom (site) Oxid. x, y, z, B, Occupancy
Li1(4a)1
Cl1(4b)-1
00001
0.50.50.501

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