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Botryogen |
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Majzlan J, Plasil J, Dachs E, Benisek A, Koch C B |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 193 (2016) 147-159 |
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Crystal chemistry, Mossbauer spectroscopy. and thermodynamic properties of botryogen |
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Locality: Nuevo Cuyo, Argentina |
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_database_code_amcsd 0021024 |
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10.4983 17.8372 7.1154 90 100.125 90 P2_1/n |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg .0921 .6820 .1511 .773 .01605 .0149 .0179 .0150 .00024 .00147 -.00043 |
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Zn .0921 .6820 .1511 .165 .01605 .0149 .0179 .0150 .00024 .00147 -.00043 |
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Mn .0921 .6820 .1511 .047 .01605 .0149 .0179 .0150 .00024 .00147 -.00043 |
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Fe1 .5 .5 .5 .00945 .0055 .0127 .0102 .00014 .00145 .00067 |
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Fe2 .5 .5 0 .01101 .0053 .0146 .0133 .00104 .00193 -.00031 |
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S1 .40732 .63867 .22072 .01207 .0089 .0139 .0134 -.00099 .00188 -.00184 |
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S2 .79108 .56818 .61507 .01324 .0133 .0149 .0113 .00061 .00170 .00091 |
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O1 .48931 .60553 .3921 .0142 .0117 .0146 .0151 -.0019 -.0008 .0008 |
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O2 .28360 .66095 .2680 .0196 .0151 .0286 .0147 .0045 .0013 -.0069 |
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O3 .38307 .57990 .0692 .0177 .0100 .0225 .0198 .0040 .0004 -.0052 |
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O4 .47534 .70172 .1555 .0234 .0181 .0218 .0308 -.0064 .0052 .0049 |
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O5 .75714 .61621 .7670 .0228 .0221 .0242 .0232 .0079 .0068 .0023 |
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O6 .69336 .50781 .5700 .0183 .0233 .0173 .0136 .0018 .0012 .0033 |
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O7 .79358 .61340 .4433 .0238 .0208 .0286 .0225 -.0060 .0054 .0035 |
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O8 .91693 .53314 .6792 .0225 .0295 .0228 .0122 .0033 -.0043 -.0011 |
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O9 .47839 .54260 .7469 .0148 .0076 .0184 .0186 -.0003 .0030 -.0025 |
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O10 .04946 .61719 .3727 .0259 .0345 .0209 .0254 -.0065 .0135 -.0013 |
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O11 .90411 .70502 .0421 .0297 .0310 .0303 .0234 .0065 -.0073 -.0037 |
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O12 .16247 .74622 .9427 .0239 .0256 .0225 .0226 -.0053 .0014 -.0002 |
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O13 .66699 .56152 .0808 .0260 .0141 .0357 .0284 .0026 .0045 .0139 |
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O14 .58728 .72577 .8264 .0259 .0284 .0209 .0317 -.0058 .0140 -.0046 |
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O15 .29505 .66144 .6745 .0320 .0189 .0460 .0309 .0016 .0034 -.0055 |
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O16 .09577 .58984 .9720 .0327 .0344 .0312 .0281 .0159 -.0067 -.0029 |
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H1 .861 .7448 .079 .0357 |
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H2 .866 .6890 .926 .0357 |
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H3 .9697 .6210 .400 .0311 |
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H4 .251 .6733 .767 .0384 |
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H5 .041 .5687 .877 .0393 |
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H6 .427 .5724 .743 .0177 |
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H7 .712 .5805 -.004 .0312 |
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H8 .625 .6824 .803 .0311 |
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H9 .707 .576 .198 .0312 |
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H10 .233 .6458 .582 .0384 |
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H11 .212 .7782 .970 .039 |
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H12 .110 .7599 .857 .024 |
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H13 .063 .5681 .362 .0311 |
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H14 .543 .7194 .921 .0311 |
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H15 .1714 .5676 .967 .0393 |
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View JMOL 3-D Structure (permalink) |
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