Rhodocrosite
	Merlini M, Hanfland M, Gemmi M
	American Mineralogist 100 (2015) 2625-2629
	The MnCO3-II high-pressure polymorph of rhodocrosite
	Note: Sample run1-p14
	Note: P = 35.67 GPa
	Locality: Sardegna, Italy
	_database_code_amcsd 0020356
	2.9539 4.843 5.588 101.78 95.09 90.45 P-1
	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 .199 .307 .7262 .96 .036 .042 .031 .024 .021 -.015 -.011
	Ca1 .199 .307 .7262 .04 .036 .042 .031 .024 .021 -.015 -.011
	C1 .59 .812 .780 .030
	O1 .68 .038 .845 .025
	O2 .704 .599 .866 .004
	O3 -.313 .266 .434 .013
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