atat-mirror/data/sqsdb/RUTILE_C4/notes.txt

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2023-08-31 20:30:18 +02:00
Set x=0.3, a typical value for rutiles. Assume touching spheres on (110) plane.
[0.3*sqrt(2)a]^2 = {[1/sqrt(2) - 0.3*sqrt(2)]a}^2 + (c/2)^2
c/a = 2*sqrt(0.1)