IMA2008-065
	Ballirano P, Bonaccorsi E, Merlino S
	The Canadian Mineralogist 36 (1998) 1285-1292
	Carbonate groups in davyne: Structural and crystal-chemical considerations
	_database_code_amcsd 0005578
	12.6916 12.6916 5.3333 90 90 120 P6_3
	atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Si .32745 .40795 .746 .0066 .0082 .0097 .0040 .0004 .0006
	Al .06911 .40807 .746 .0077 .0084 .0095 .0047 .0003 .0004
	O1 .2138 .4297 .717 .0117 .0267 .0437 .0140 .0044 .0108
	O2 .0977 .5557 .741 .0195 .0103 .0225 .0089 .0001 .0000
	O3 .0030 .3254 .018 .0274 .0201 .0193 .0164 .0139 .0085
	O4 .3147 .3354 .001 .0183 .0204 .0160 .0064 -.0050 .0072
	Ca 2/3 1/3 .218 .0148 .0148 .0256 .0074 0 0
	Cl .336 .650 .221 .33 .1357 .1119 .0211 .0849 -.0283 -.0247
	NaM1 .1179 .2459 .288 .43 .0209 .0432 .0381 .0222 .0048 -.0041
	CaM1 .1179 .2459 .288 .10 .0209 .0432 .0381 .0222 .0048 -.0041
	NaM2 .119 .234 .219 .22 .0337 .0715 .0357 .0423 .0094 -.0071
	CaM2 .119 .234 .219 .05 .0337 .0715 .0357 .0423 .0094 -.0071
	NaM3 .154 .316 .260 .16 .0549 .1622 .0344 .0840 -.0046 -.0066
	CaM3 .154 .316 .260 .04 .0549 .1622 .0344 .0840 -.0046 -.0066
	C1 0 0 .167 .29
	OC1 .114 .059 .167 .29 .0222 .0276 .1200 .0120 -.0013 -.0178
	C2 0 0 .380 .10
	OC2 .118 .060 .380 .19 .0222 .0276 .1200 .0120 -.0013 -.0178
	S 0 0 .266 .09
	OS 0 0 .98 .09
	Cl1 .014 .059 .08 .048
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