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2.1 Basics of Structures
How many Zr,Si and O atoms are in one unit cell?
Crystal data
Formula sum ZrSiO 4
Crystal system tetragonal
Space group I 41/a m d (no. 141)
Unit cell dimensions a = 6.625(6) Å c = 6.0313(70) Å
Cell volume 267.00(46) Å3
Atomic coordinates
Atom Ox. Wyck. x y z
O1 -2 16h 0 0.06592(10) 0.19922(70)
Zr1 +4 4a 0 3/4 1/8
Si1 +4 4b 0 1/4 3/8
