Rhodocrosite
	Merlini M, Hanfland M, Gemmi M
	American Mineralogist 100 (2015) 2625-2629
	The MnCO3-II high-pressure polymorph of rhodocrosite
	Note: Sample run1-p10
	Note: P = 40.80 GPa
	Locality: Sardegna, Italy
	_database_code_amcsd 0020351
	4.5927 4.5927 13.332 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 .0265 .0203 .0203 .039 .0101 0 0
	Ca1 0 0 0 .04 .0265 .0203 .0203 .039 .0101 0 0
	C1 0 0 .25 .021
	O .2723 0 .25 .034 .021 .051 .040 .026 -.012 -.025
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