Rhodocrosite
	Merlini M, Hanfland M, Gemmi M
	American Mineralogist 100 (2015) 2625-2629
	The MnCO3-II high-pressure polymorph of rhodocrosite
	Note: Sample run2-p22
	Note: P = 19.78 GPa
	Locality: Sardegna, Italy
	_database_code_amcsd 0020379
	4.6641 4.6641 14.341 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 .0118 .0112 .0112 .0130 .0056 0 0
	Ca1 0 0 0 .04 .0118 .0112 .0112 .0130 .0056 0 0
	C1 0 0 .25 .009
	O1 .2731 0 .25 .011 .0127 .018 .005 .0088 -.0002 .000
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