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Klebelsbergite |
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Manchetti S, Sabelli C |
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American Mineralogist 65 (1980) 931-935 |
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The crystal structure of klebelsbergite Sb4O4(OH)2SO4 |
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_database_code_amcsd 0000795 |
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5.766 11.274 14.887 90 90 90 Pca2_1 |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Sb1 .4789 .3596 .25 0.0059 0.0029 0.0014 0.0005 0.0004 0.0001 |
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Sb2 .3917 .0874 .0914 0.0060 0.0019 0.0009 0.0004 0.0000 0.0000 |
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Sb3 .1526 .4078 .4322 0.0056 0.0020 0.0009 0.0005 -.0002 0.0001 |
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Sb4 .0483 .1412 .2673 0.0071 0.0026 0.0013 0.0008 0.0006 -.0002 |
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S .6780 .2595 .5083 0.0064 0.0034 0.0011 -.0001 -.0007 0.0002 |
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O1 .8525 .2505 .4312 0.0191 0.0065 0.0006 0.0004 0.0015 0.0013 |
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O2 .6400 .3877 .5285 0.0288 0.0017 0.0024 -.0002 -.0032 -.0001 |
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O3 .4627 .2026 .4849 0.0137 0.0149 0.0025 -.0106 0.0002 -.0035 |
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O4 .7742 .2015 .5899 0.0128 0.0125 0.0009 0.0077 0.0015 0.0028 |
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O5 .2856 .4627 .1823 0.0166 0.0020 0.0015 0.0044 0.0001 0.0006 |
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O6 .3077 .2026 .1821 0.0077 0.0026 0.0008 -.0017 0.0022 0.0001 |
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O7 .4238 .4919 .3657 0.0053 0.0061 0.0005 -.0041 0.0013 -.0012 |
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O8 .1178 .0069 .1642 0.0026 0.0018 0.0010 0.0006 -.0013 0.0005 |
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O9 .2723 .0515 .3413 0.0268 0.0036 0.0014 -.0026 -.0058 0.0001 |
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O10 .1994 .3088 .3213 0.0098 0.0016 0.0011 -.0019 0.0021 -.0013 |
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H1 .3010 .5130 .1290 4. |
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H2 .3370 .1010 .3890 4. |
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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 (permalink)
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Klebelsbergite |
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Roper A J, Leverett P, Murphy T D, Williams P A, Hibbs D E |
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American Mineralogist 100 (2015) 602-607 |
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Klebelsbergite, Sb4O4SO4(OH)2: Stability relationships, formation in nature, |
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and refinement of its structure |
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Locality: Synthetic |
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_database_code_amcsd 0020337 |
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5.7563 11.2538 14.8627 90 90 90 Pca2_1 |
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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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Sb1 .47915 .35978 .27541 .00894 .00668 .01093 .00920 .00070 .00111 .00078 |
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Sb2 .39265 .08777 .11631 .00691 .00645 .00805 .00624 .00058 .00009 -.00010 |
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Sb3 .15311 .40793 .45788 .00655 .00611 .00752 .00602 .00057 .00000 .00000 |
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Sb4 .04775 .14102 .29264 .00838 .00699 .00993 .00822 .00080 .00074 -.00029 |
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S .82207 .26043 .03258 .0082 .0073 .0098 .0075 .0003 .0009 .0013 |
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O1 .6523 .2477 -.0419 .0146 .0147 .0178 .0111 .0040 -.0039 -.0016 |
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O2 .8534 .3868 .0536 .0182 .031 .0113 .0128 .0008 -.0016 .0021 |
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O3 .0424 .2032 .0093 .0216 .0103 .032 .023 .0072 .0004 -.0135 |
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O4 .7252 .2020 .1148 .0180 .0222 .0224 .0093 -.0105 -.0001 .0033 |
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O5 .2818 .4624 .2025 .0124 .0109 .0127 .0135 .0007 .0002 .0028 |
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O6 .3127 .2056 .2091 .0087 .0099 .0070 .0091 -.0018 .0017 -.0022 |
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O7 .4243 .4908 .3905 .0077 .0045 .0109 .0076 -.0020 .0004 -.0022 |
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O8 .6145 -.0095 .1891 .0085 .0046 .0106 .0104 .0018 .0006 .0006 |
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O9 .2755 .0509 .3635 .0145 .017 .0121 .0143 .0014 -.0073 .0010 |
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O10 .2029 .3071 .3486 .0099 .0096 .0123 .0077 -.0036 .0045 -.0037 |
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H1 .381 .493 .166 .017 |
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H2 .345 .094 .404 .020 |
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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 (permalink)
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