Microsommite
	Bonaccorsi E, Comodi P, Merlino S
	Physics and Chemistry of Minerals 22 (1995) 367-374
	Thermal behaviour of davyne-group minerals
	Sample: T = 293 K
	_database_code_amcsd 0007925
	12.784 12.784 5.346 90 90 120 P6_3
	atom x y z occ Uiso
	Ca 1/3 2/3 .075 .0138
	Cl .3621 .681 .253 1/3 .052
	Na .1517 .3089 .307 .5 .029
	K .2193 .1125 .798 .33 .040
	Na .2193 .1125 .798 .17 .040
	S1 0 0 .300 .44 .033
	OA1 0 0 .587 .22 .08
	OA2 0 0 .013 .22 .08
	OB1 .063 .116 .187 .22 .08
	OB2 .052 .121 .403 .22 .06
	Cl' .097 .090 .08 .04 .08
	Si .3278 .4098 .7825 .0069
	Al .0696 .4099 .7806 .0073
	O1 .2117 .4253 .747 .019
	O2 .1067 .5599 .774 .018
	O3 -.0229 .3178 .536 .018
	O4 .0037 .3326 .053 .012
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Microsommite
	Bonaccorsi E, Comodi P, Merlino S
	Physics and Chemistry of Minerals 22 (1995) 367-374
	Thermal behaviour of davyne-group minerals
	Sample: T = 943 K
	_database_code_amcsd 0007926
	12.871 12.871 5.371 90 90 120 P6_3/m
	atom x y z occ Uiso
	Ca 1/3 2/3 3/4 .036
	Cl .303 .628 .25 1/3 .097
	Na .158 .317 .25 .5 .077
	K .231 .119 3/4 .33 .106
	Na .231 .119 3/4 .17 .106
	S1 0 0 .25 .44 .091
	OA 0 0 0 .15 .10
	OB .0603 .0985 .1061 .18 .12
	OC .0358 .1224 .25 .09 .10
	Cl' .0297 -.828 .8818 .02 .08
	Si .3298 .4124 3/4 .016
	Al .0715 .4122 3/4 .017
	O1 .2096 .4219 3/4 .035
	O2 .1085 .5615 3/4 .035
	O3 -.0083 .3312 1.009 .035
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Microsommite
	Bonaccorsi E, Merlino S, Pasero M, Macedonio G
	Physics and Chemistry of Minerals 28 (2001) 509-522
	Microsommite: crystal chemistry, phase transitions,
	Ising model and Monte Carlo simulations
	_database_code_amcsd 0008599
	22.161 22.161 5.358 90 90 120 P6_3
	atom x y z occ Uiso
	K1 .7777 .3350 .8269 .56 .0476
	Na1 .7777 .3350 .8269 .44 .0476
	K2 .1084 .1100 .329 .56 .032
	Na2 .1536 .1559 .331 .44 .014
	Na1 .8199 .4890 .329 .0391
	Ca -.00090 .33227 .2735 .012
	S1 2/3 1/3 .328 .053
	OA1 .638 .312 .008 .2 .092
	OA1b .640 .366 .55 .133 .092
	OB1 .608 .333 .444 .6 .092
	OB1b .611 .334 .194 .4 .092
	S2 0 0 .324 .5 .024
	OA2 .052 .019 .05 .167 .064
	OB2a .056 .057 .253 .28 .064
	OB2b .064 .038 .523 .22 .064
	Al1 .90969 .15941 .3055 .0052
	Al2 .91586 .42223 .3048 .0069
	Al3 .82743 .58464 .8068 .0074
	Si1 .83011 .25078 .3090 .0085
	Si2 .91379 .49794 .8026 .0054
	Si3 .91813 .75445 .8043 .0048
	Cl1 .0203 .3471 .785 1/3 .040
	Cl2 -.0004 .3423 .770 1/3 .040
	Cl3 .0026 .3191 .772 1/3 .040
	O1 .8790 .5479 .7677 .0112
	O2 .0013 .7873 .774 .016
	O3 .8788 .3319 .2706 .016
	O4 .8887 .6723 .797 .013
	O5 -.0037 .5515 .798 .014
	O6 .8837 .2216 .299 .016
	O7 .7739 .2206 .083 .020
	O8 .8863 .4430 .5762 .017
	O9 .8926 .1128 .582 .010
	O10 .8879 .4551 .062 .012
	O11 .8784 .0975 .067 .013
	O12 .7860 .2318 .562 .015
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