American Mineralogist Crystal Structure Database

6 matching records for this search.

Szomolnokite
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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
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Szomolnokite
Download hom/szomolnokite.pdf
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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Szomolnokite
Download hom/szomolnokite.pdf
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
Download hom/szomolnokite.pdf
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
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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
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Szomolnokite
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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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Total number of retrieved datasets: 6
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