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Turtmannite |
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Brugger J, Armbruster T, Meisser N, Hejny C, Grobety B |
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American Mineralogist 86 (2001) 1494-1505 |
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Description and crystal structure of turtmannite, a new mineral with a |
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68 Angstrom period related to mcgovernite |
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Note: z-coordinate of Mn12 has been modified |
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_database_code_amcsd 0002747 |
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8.259 8.259 204.3 90 90 120 R-3c |
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atom x y z occ Uiso |
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Mg1 .1412 .4234 .00010 .74 .014 |
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Mn1 .1412 .4234 .00010 .26 .014 |
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Mn2 0 0 .01010 .022 |
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Mg3 .471 .100 .01450 .48 .006 |
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V4 1/3 2/3 .01440 .89 .015 |
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As4 1/3 2/3 .01440 .11 .015 |
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Mn5 .2071 .2585 .02374 .0191 |
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As6 2/3 1/3 .02396 .26 .015 |
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Mn6 .897 .379 .02351 .152 .01 |
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Mg7 1/3 2/3 .03491 .78 .014 |
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Mn7 1/3 2/3 .03491 .22 .014 |
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Mn8 .9039 .3545 .03505 .848 .0173 |
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As9 0 0 .03833 .51 .013 |
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V9 0 0 .03833 .49 .013 |
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Mn10 .1189 .4158 .04864 .0158 |
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Si11 2/3 1/3 .04935 .76 .016 |
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As11 2/3 1/3 .04935 .24 .016 |
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Mn12 0 0 .05965 .035 |
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Mn13 .4217 .3136 .06009 .0153 |
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Si14 1/3 2/3 .06192 .012 |
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Mn15 .1072 .4013 .07179 .0147 |
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Si16 2/3 1/3 .07321 .011 |
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Mn17 -.0746 -.4079 1/12 .0161 |
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V18 0 0 .08057 .012 |
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O1 .481 .096 .00498 .022 |
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O2 1/3 2/3 .00573 .021 |
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O3 .052 .799 .00564 .028 |
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O4 .221 .045 .01779 .023 |
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O5 .385 .494 .01705 .030 |
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O6 2/3 1/3 .0171 .60 .030 |
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O7 .6987 .149 .02909 .023 |
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O8 .561 .709 .02922 .018 |
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O9 0 0 .02997 .011 |
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O10 .959 .170 .04116 .016 |
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O11 .112 .607 .04151 .022 |
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O12 2/3 1/3 .04129 .013 |
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O13 .637 .498 .05276 .015 |
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O14 .184 .233 .05346 .015 |
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O15 1/3 2/3 .05379 .019 |
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O16 2/3 1/3 .06513 .010 |
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O17 .369 .505 .06507 .010 |
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O18 -.162 -.236 .06573 .013 |
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O19 .159 .210 .07771 .016 |
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O20 .872 .392 .07631 .013 |
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O21 0 0 .08860 .015 |
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Painite |
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Armbruster T, Dobelin N, Peretti A, Gunther D, Reusser E, Grobety B |
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American Mineralogist 89 (2004) 610-613 |
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The crystal structure of painite CaZrB[Al9O18] revisited |
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Locality: Mogok |
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_database_code_amcsd 0003470 |
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8.724 8.724 8.464 90 90 120 P6_3/m |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca 0 0 0 .77 1.148 .0059 .0059 .0318 .00295 0 0 |
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Na 0 0 0 .19 1.148 .0059 .0059 .0318 .00295 0 0 |
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Zr 2/3 1/3 .25 .94 .277 .00342 .00342 .00368 .00171 0 0 |
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Hf 2/3 1/3 .25 .01 .277 .00342 .00342 .00368 .00171 0 0 |
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V 2/3 1/3 .25 .01 .277 .00342 .00342 .00368 .00171 0 0 |
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Cr 2/3 1/3 .25 .03 .277 .00342 .00342 .00368 .00171 0 0 |
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B 1/3 -1/3 .25 .41 .0048 .0048 .0061 .0024 0 0 |
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Al1 .34290 .36082 .07794 .98 .314 .00351 .00449 .00386 .00194 .00000 .00045 |
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Ti1 .34290 .36082 .07794 .02 .314 .00351 .00449 .00386 .00194 .00000 .00045 |
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Al2 .33656 .00426 .25 .98 .344 .00400 .00418 .0042 .00151 0 0 |
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Ti2 .33656 .00426 .25 .02 .344 .00400 .00418 .0042 .00151 0 0 |
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O1 .88145 .40477 .09293 .381 .0049 .0046 .0050 .0023 .0005 .0002 |
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O2 .19303 -.10735 .08217 .405 .0047 .0047 .0050 .0016 -.0002 .0000 |
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O3 -.11034 -.32921 .25 .474 .0055 .0090 .0048 .0046 0 0 |
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O4 .44764 -.15362 .25 .452 .0050 .0039 .0077 .0019 0 0 |
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Ferrohogbomite-2N2S |
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Hejny C, Gnos E, Grobety B, Armbruster T |
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European Journal of Mineralogy 14 (2002) 957-967 |
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Crystal chemistry of the polysome ferrohogbomite-2N2S, |
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a long-known but newly defined mineral species |
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_database_code_amcsd 0006950 |
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5.712 5.712 18.317 90 90 120 P6_3mc |
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atom x y z occ Uiso |
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AlM1 .6711 .8355 .9410 .0071 |
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FeM2 0 0 .7970 .60 .0071 |
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TiM2 0 0 .7970 .40 .0071 |
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MgT3 2/3 1/3 .8506 .57 .0023 |
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FeT3 2/3 1/3 .8506 .43 .0023 |
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AlM4 .0055 .5028 .6965 .0044 |
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AlM5 2/3 1/3 .5660 .0062 |
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FeT6 1/3 -1/3 .5361 .89 .0081 |
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MgT6 1/3 -1/3 .5361 .11 .0081 |
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FeT7 0 0 .6041 .68 .0037 |
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MgT7 0 0 .6041 .32 .0037 |
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O1 0 0 .9956 .009 |
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O2 .038 .519 .9983 .006 |
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OH3 1/3 -1/3 .8844 .004 |
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O4 .8475 .695 .8811 .011 |
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O5 -1/3 -2/3 .7472 .010 |
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O6 .6626 .8313 .7489 .006 |
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O7 1/3 2/3 .6416 .011 |
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O8 .8114 .6228 .6328 .011 |
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| Download AMC data (View Text File)
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