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Santaclaraite |
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Ohashi Y, Finger L W |
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American Mineralogist 66 (1981) 154-168 |
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The crystal structure of santaclaraite, CaMn4[Si5O14(OH)](OH)*H2O: The role of |
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hydrogen atoms in the pyroxenoid structure |
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Note: gamma angle revised according to Am Min 66 (1981) 1281 |
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10.273 11.910 12.001 105.77 110.64 89.13 I-1 |
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atom x y z occ Biso |
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Mn1 .01041 .03761 .87646 0.64 |
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Mn2 .00534 .11316 .62112 0.52 |
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Mn3 .02109 .83376 .63081 .99 0.62 |
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Ca3 .02109 .83376 .63081 .01 0.62 |
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Mn4 .00166 .24218 .11853 .95 0.56 |
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Mg4 .00166 .24218 .11853 .05 0.56 |
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Ca5 .01957 .31307 .86949 .91 0.70 |
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Mn5 .01957 .31307 .86949 .09 0.70 |
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Si1 .2092 .5836 .5776 0.41 |
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Si2 .2203 .6605 .3564 0.44 |
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Si3 .2256 .4693 .1212 0.40 |
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Si4 .2101 .5305 .8810 0.40 |
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Si5 .1953 .3531 .6409 0.39 |
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OA1 .1270 .8910 .8386 0.66 |
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OA2 .1115 .8140 .0865 0.65 |
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OA3 .1071 .0210 .3269 0.62 |
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OA4 .1222 .9548 .5760 0.60 |
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OA5 .1366 .1528 .8169 0.56 |
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OhB1 .1204 .6740 .6437 0.74 |
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OB2 .1316 .7672 .3327 0.73 |
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OB3 .1536 .3399 .0887 0.70 |
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OB4 .1363 .6393 .8435 0.87 |
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OB5 .1068 .2307 .5620 0.62 |
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OC1 .1740 .5938 .4398 0.72 |
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OC2 .1683 .5646 .2155 0.68 |
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OC3 .1602 .5011 .9873 0.63 |
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OC4 .1549 .4076 .7663 0.63 |
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OC5 .1575 .4485 .5603 0.67 |
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OhD1 .1041 .0863 .0802 0.75 |
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OWD2 .1293 .2764 .3267 0.90 |
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H1 .101 .655 .702 |
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H2 .181 .089 .116 |
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H3 .218 .248 .362 |
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H4 .137 .335 .406 |
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