Alum-(K)
	Nyburg S C, Steed J, Aleksovska S, Petrusevski V M
	Acta Crystallographica B56 (2000) 204-209
	Structure of the alums. I. On the sulfate group disorder in the alpha-alums
	Locality: synthetic
	Sample: T = 296 K
	_database_code_amcsd 0009911
	12.1640 12.1640 12.1640 90 90 90 Pa3
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	K .5 .5 .5 .0492 .0492 .0492 .0492 .0104 .0104 .0104
	Al 0 0 0 .0208 .0208 .0208 .0208 -.0004 -.0004 -.0004
	S .30764 .30764 .30764 .0265 .0265 .0265 .0265 .0037 .0034 .0037
	O3 .23898 .23898 .23898 .697 .0633 .0633 .0633 .0633 -.0121 -.0121 -.0121
	O3A .3749 .3749 .3749 .303 .0820 .082 .082 .082 -.028 -.028 -.028
	O4 .2648 .42078 .30973 .697 .0479 .0620 .0378 .044 .0213 .0212 .0115
	O4A .2853 .2042 .3643 .303 .0501 .048 .037 .066 .012 .023 .027
	O1 .15176 .01980 -.01855 .0308 .0237 .0385 .0303 -.0046 .0013 .0013
	O2 .04633 .13357 .30258 .0417 .0443 .0396 .0413 .0008 -.0050 -.0052
	H11 .1752 .0350 -.0683 .044
	H12 .198 .025 .038 .061
	H21 .104 .160 .299 .077
	H22 .008 .184 .290 .060
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