Calcite
	Prencipe M, Pascale F, Zicovich-Wilson C M, Saunders V R, Orlando R, Dovesi R
	Physics and Chemistry of Minerals 31 (2004) 559-564
	The vibrational spectrum of calcite (CaCO3): an ab initio
	quantum-mechanical calculation
	Note: Theoretically derived structure
	_database_code_amcsd 0008879
	5.0492 5.0492 17.3430 90 90 120 R-3c
	atom x y z
	Ca 0 0 0
	C 0 0 .25
	O .25642 0 .25
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