Szomolnokite
	Talla D, Wildner M
	American Mineralogist 104 (2019) 1732-1749
	Investigation of the kieserite-szomolnokite solid-solution series, (Mg,Fe)SO4*H2O,
	with relevance to Mars: Crystal chemistry, FTIR, and Raman spectroscopy
	under ambient and martian temperature conditions
	Note: Sample Mg0.25Fe0.75
	Locality: Synthetic
	_database_code_amcsd 0021011
	7.0417 7.579 7.753 90 118.491 90 C2/c
	atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Mg 0 .5 0 .248 .00983 .00898 .01011 .00990 -.00023 .00410 .00077
	Fe 0 .5 0 .752 .00983 .00898 .01011 .00990 -.00023 .00410 .00077
	S 0 .15362 .25 .00867 .00702 .00837 .01003 0 .00360 0
	O1 .17096 .04312 .39722 .01639 .0107 .0179 .0182 .0047 .0050 .0079
	O2 .09476 .26783 .15504 .01461 .0145 .0132 .0190 .0014 .0103 .0053
	O3 0 .64236 .25 .01368 .0130 .0149 .0132 0 .0062 0
	H .102 .710 .290 .037
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Szomolnokite
	Talla D, Wildner M
	American Mineralogist 104 (2019) 1732-1749
	Investigation of the kieserite-szomolnokite solid-solution series, (Mg,Fe)SO4*H2O,
	with relevance to Mars: Crystal chemistry, FTIR, and Raman spectroscopy
	under ambient and martian temperature conditions
	Note: Sample Mg0.00Fe1.00
	Locality: Synthetic
	_database_code_amcsd 0021012
	7.0862 7.5545 7.7801 90 118.612 90 C2/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Fe 0 .5 0 .00895 .00811 .00931 .00909 -.00010 .00384 .00089
	S 0 .15329 .25 .00754 .00570 .00730 .00910 0 .00312 0
	O1 .16934 .04258 .39810 .01514 .00912 .0170 .0177 .00440 .00508 .00796
	O2 .09619 .26810 .15713 .01341 .01284 .01219 .0177 .00145 .00935 .00533
	O3 0 .64477 .25 .01220 .0125 .0131 .0116 0 .0062 0
	H .099 .717 .294 .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)
	Szomolnokite
	Talla D, Wildner M
	American Mineralogist 104 (2019) 1732-1749
	Investigation of the kieserite-szomolnokite solid-solution series, (Mg,Fe)SO4*H2O,
	with relevance to Mars: Crystal chemistry, FTIR, and Raman spectroscopy
	under ambient and martian temperature conditions
	Note: T = -80 C
	Locality: Synthetic
	_database_code_amcsd 0021015
	7.0580 7.5663 7.7576 90 118.454 90 C2/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Fe 0 .5 0 .00582 .00531 .00572 .00630 -.00003 .00266 .00064
	S 0 .15447 .25 .00507 .00382 .00462 .00651 0 .00225 0
	O1 .16874 .04405 .39968 .01016 .00629 .01111 .01199 .00299 .00347 .00538
	O2 .09854 .26941 .15838 .00889 .00832 .00798 .01216 .00074 .00633 .00344
	O3 0 .64418 .25 .00850 .0084 .0088 .0087 0 .00439 0
	H .108 .716 .294 .028
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Szomolnokite
	Talla D, Wildner M
	American Mineralogist 104 (2019) 1732-1749
	Investigation of the kieserite-szomolnokite solid-solution series, (Mg,Fe)SO4*H2O,
	with relevance to Mars: Crystal chemistry, FTIR, and Raman spectroscopy
	under ambient and martian temperature conditions
	Note: T = -160 C
	Locality: Synthetic
	_database_code_amcsd 0021016
	7.0404 7.5756 7.7450 90 118.368 90 C2/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Fe 0 .5 0 .00387 .00364 .00378 .00416 .00003 .00182 .00046
	S 0 .15512 .25 .00351 .00283 .00326 .00436 0 .00162 0
	O1 .16853 .04497 .40047 .00700 .00455 .00773 .00792 .00210 .00231 .00347
	O2 .09991 .27015 .15910 .00624 .00607 .00564 .00832 .00030 .00450 .00221
	O3 0 .64381 .25 .00616 .0060 .0064 .0064 0 .00316 0
	H .109 .712 .292 .021
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	Szomolnokite
	Le Fur Y, Coing-Boyat J, Bassi G
	Comptes Rendus de l'Academie des Sciences Paris C262 (1966) 632-635
	Structure des sulfates monohydrates, monocliniques, des metaux de transition,
	MSO4*H2O (M = Mn, Fe, Co, Ni et Zn)
	Locality: synthetic
	_database_code_amcsd 0021021
	7.075 7.541 7.600 90 116.183 90 C2/c
	atom x y z Biso
	Fe 0 .5 0 .08
	S 0 .096 .25 .31
	O1 .195 -.016 .353 1.17
	O2 .020 .203 .098 1.55
	Wat 0 .612 .25 .85
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)
	Szomolnokite
	Wildner M, Giester G
	Neues Jahrbuch fur Mineralogie, Monatshefte 1991 (1991) 296-306
	The crystal structures of kieserite-type compounds.
	I. Crystal structures of Me(II)SO4*H2O (Me = Mn,Fe,Co,Ni,Zn)
	Locality: synthetic
	_database_code_amcsd 0014852
	7.078 7.549 7.773 90 118.65 90 C2/c
	atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
	Fe 0 .5 0 .0121 .0164 .0205 .0001 .0073 .0011
	S 0 .15307 .25 .0101 .0145 .0205 0 .0067 0
	O1 .1697 .0429 .3985 .0137 .0232 .0283 .0042 .0082 .0079
	O2 .0956 .2683 .1560 .0180 .0200 .0278 .0029 .0133 .0063
	O3 0 .6444 .25 .0160 .0206 .0254 0 .0097 0
	H .108 .709 .315 .088
	Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink)

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