Rhodocrosite
	Merlini M, Hanfland M, Gemmi M
	American Mineralogist 100 (2015) 2625-2629
	The MnCO3-II high-pressure polymorph of rhodocrosite
	Note: Sample run1-p0
	Note: P = .0001 GPa
	Locality: Sardegna, Italy
	_database_code_amcsd 0020341
	4.7903 4.7903 15.72 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 .0140 .0106 .0106 .0207 .0053 0 0
	Ca1 0 0 0 .04 .0140 .0106 .0106 .0207 .0053 0 0
	C1 0 0 .25 .008
	O .2667 0 .25 .015 .011 .019 .019 .009 -.0011 -.002
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