Vaterite
	Demichelis R, Raiteri P, Gale J D, Dovesi R
	CrystEngComm 14 (2012) 44-47
	A new structural model for disorder in vaterite from first-principles calculations
	Locality: theoretical
	_database_code_amcsd 0019869
	7.1120 7.1120 25.4089 90 90 120 P6_5
	atom x y z
	Ca1 .95661 .97935 .08650
	Ca2 .67921 .31096 .08050
	Ca3 .30019 .62994 .08153
	C1 .04111 .35589 .99496
	C2 .65885 .61228 .00485
	C3 .01935 .31215 .66700
	O4 .03599 .14063 .67262
	O5 .00532 .36944 .61897
	O6 .58087 .59863 .37438
	O7 .95631 .25748 .95143
	O8 .64138 .66134 .05336
	O9 .21600 .54229 .99401
	O10 .67527 .44184 .99694
	O11 .95776 .27600 .04054
	O12 .66170 .72781 .96587
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