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Fayalite |
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Lottermoser W, Steiner K, Grodzicki M, Jiang K, Scharfetter G, Bats J W, |
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Redhammer G J, Treutmann W, Hosoya S, Amthauer G |
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Physics and Chemistry of Minerals 29 (2002) 112-121 |
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The electric field gradient in synthetic fayalite alpha-Fe2SiO4 |
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at moderate temperatures |
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Sample: T = 153 K |
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_database_code_amcsd 0008631 |
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10.4597 6.0818 4.8150 90 90 90 Pnma |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe1 0 0 0 .0042 .0053 .0035 .0038 -.0008 .0001 -.0003 |
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Fe2 .28003 .25 .98599 .0040 .0039 .0032 .0050 0 .0000 0 |
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Si .09745 .25 .43085 .0035 .0038 .0031 .0037 0 .0002 0 |
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O1 .09174 .25 .76800 .0051 .0060 .0050 .0042 0 .0003 0 |
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O2 -.04688 .25 .29110 .0049 .0040 .0050 .0057 0 -.0001 0 |
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O3 .16580 .03601 .28842 .0053 .0062 .0039 .0059 .0010 .0002 -.0004 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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H12 Mg O9 S |
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Bats J, Fuess H, Elerman Y |
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Acta Crystallographica B42 (1986) 552-557 |
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Deformation density in magnesium sulfite hexahydrate. |
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_cod_database_code 1100081 |
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_database_code_amcsd 0018256 |
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5.911 5.911 5.911 96.25 96.25 96.25 R3 |
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atom x y z |
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Mg1 0 0 0 |
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S1 -.50281 -.50281 -.50281 |
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O1 -.25489 -.48273 -.55929 |
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O2 -.14488 -.32975 .04913 |
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O3 .1232 .31789 -.07641 |
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H1 -.1911 -.3680 .1976 |
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H2 -.2743 -.4036 -.0663 |
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H3 .0588 .4550 -.0246 |
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H4 .2683 .3659 -.1398 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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H12 Mg O9 S |
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Bats J, Fuess H, Elerman Y |
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Acta Crystallographica B42 (1986) 552-557 |
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Deformation density in magnesium sulfite hexahydrate. |
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_cod_database_code 1100082 |
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_database_code_amcsd 0018257 |
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5.911 5.911 5.911 96.25 96.25 96.25 R3 |
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atom x y z |
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Mg1 0 0 0 |
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S1 -.50313 -.50313 -.50313 |
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O1 -.25462 -.48274 -.55935 |
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O2 -.14493 -.32984 .04902 |
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O3 .12289 .31765 -.07661 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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H12 Mg O9 S |
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Bats J, Fuess H, Elerman Y |
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Acta Crystallographica B42 (1986) 552-557 |
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Deformation density in magnesium sulfite hexahydrate. |
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_cod_database_code 1100083 |
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_database_code_amcsd 0018258 |
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5.911 5.911 5.911 96.25 96.25 96.25 R3 |
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atom x y z |
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Mg1 0 0 0 |
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S1 -.50312 -.50312 -.50312 |
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O1 -.25463 -.48277 -.55934 |
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O2 -.14468 -.32982 .04906 |
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O3 .12283 .31762 -.07655 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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H12 Mg O9 S2 |
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Elerman Y, Bats J, Fuess H |
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Acta Crystallographica C39 (1983) 515-518 |
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Deformation Density in Complex Anions. IV. Magnesium Thiosulfate |
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Hexahydrate, Mg S2 O3 * 6H2 O |
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_cod_database_code 1100078 |
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_database_code_amcsd 0018253 |
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9.324 14.461 6.862 90 90 90 Pnma |
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atom x y z |
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Mg1 0 0 0 |
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S1 .04096 .25 .43957 |
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S2 .21649 .25 .61198 |
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O1 -.04314 .16614 .47737 |
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O2 .09119 .25 .23547 |
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O3 -.15483 .08144 .14763 |
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O4 .12792 .11398 -.03015 |
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O5 -.09866 .02623 -.25960 |
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H1 .87919 .11058 .26887 |
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H2 .80934 .13264 .06707 |
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H3 .11983 .16151 .07098 |
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H4 .15472 .14679 .85137 |
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H5 .91993 .07736 .65198 |
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H6 .81742 .99294 .69599 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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H12 Mg O9 S2 |
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Elerman Y, Bats J, Fuess H |
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Acta Crystallographica C39 (1983) 515-518 |
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Deformation Density in Complex Anions. IV. Magnesium Thiosulfate |
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Hexahydrate, Mg S2 O3 * 6H2 O |
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_cod_database_code 1100079 |
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_database_code_amcsd 0018254 |
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9.324 14.461 6.862 90 90 90 Pnma |
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atom x y z |
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Mg1 0 0 0 |
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S1 .04105 .25 .43971 |
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S2 .21639 .25 .61200 |
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O1 -.04325 .16579 .47767 |
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O2 .09132 .25 .23491 |
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O3 -.15484 .08130 .14755 |
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O4 .12791 .11387 -.03032 |
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O5 -.09855 .02614 -.25936 |
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H1 .8770 .1047 .2512 |
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H2 .8129 .1231 .0793 |
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H3 .1278 .1542 .0629 |
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H4 .1521 .1442 .8618 |
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H5 .9166 .0680 .6646 |
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H6 .8352 .9986 .7076 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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