Rhodocrosite
	Merlini M, Hanfland M, Gemmi M
	American Mineralogist 100 (2015) 2625-2629
	The MnCO3-II high-pressure polymorph of rhodocrosite
	Note: Sample run1-p12
	Note: P = 44.01 GPa
	Locality: Sardegna, Italy
	_database_code_amcsd 0020354
	2.934 4.839 5.557 101.87 95.29 89.73 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 .193 .303 .7264 .96 .026 .030 .026 .021 .011 .005 .003
	Ca1 .193 .303 .7264 .04 .026 .030 .026 .021 .011 .005 .003
	C1 .589 .804 .766 .032
	O1 .693 .042 .855 .022
	O2 .719 .608 .867 .004
	O3 -.350 .233 .436 .024
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