Rhodocrosite
	Merlini M, Hanfland M, Gemmi M
	American Mineralogist 100 (2015) 2625-2629
	The MnCO3-II high-pressure polymorph of rhodocrosite
	Note: Sample run2-p23
	Note: P = 20.24 GPa
	Locality: Sardegna, Italy
	_database_code_amcsd 0020380
	4.6624 4.6624 14.330 90 90 120 R-3c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mn1 0 0 0 .96 .0108 .0097 .0097 .0129 .0048 0 0
	Ca1 0 0 0 .04 .0108 .0097 .0097 .0129 .0048 0 0
	C1 0 0 .25 .0084
	O1 .2728 0 .25 .0106 .0110 .015 .007 .0073 .0000 .0001
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