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Rossmanite |
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Selway J B, Novak M, Hawthorne F C, Cerny P, Ottolini L, Kyser T K |
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American Mineralogist 83 (1998) 896-900 |
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Rossmanite, _(LiAl2)Al6(Si6O18)(BO3)3(OH)4, a new alkali-deficient tourmaline: |
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Description and crystal structure |
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Locality: Rozna, Moravia, Czech Republic |
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_database_code_amcsd 0002029 |
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15.770 15.770 7.085 90 90 120 R3m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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NaX 0 0 .84080 .43 .0237 .0237 .0193 .01185 0 0 |
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AlY .06084 .93916 .4373 .72 .0051 .0051 .0079 .0014 .0012 -.0012 |
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LiY .06084 .93916 .4373 .28 .0051 .0051 .0079 .0014 .0012 -.0012 |
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AlZ .25942 .29637 .4656 .0069 .0046 .0045 .0029 -.0010 -.0001 |
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SiT .18965 .19163 .0721 .0041 .0045 .0050 .0021 .0005 .0002 |
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B .89078 .10922 .6198 .0053 .0053 .0051 .0021 .0000 .0000 |
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OH1 0 0 .3015 .83 .0216 .0216 .0082 .0108 0 0 |
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F1 0 0 .3015 .10 .0216 .0216 .0082 .0108 0 0 |
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O1 0 0 .3015 .07 .0216 .0216 .0082 .0108 0 0 |
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O2 .93952 .06048 .5809 .0138 .0138 .0108 .0112 -.0001 .0001 |
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OH3 .12998 .87002 .5647 .0095 .0095 .0065 -.0012 .0011 -.0011 |
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O4 .90516 .09484 -.0017 .0066 .0066 .0083 -.0001 -.0003 .0003 |
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O5 .09386 .90614 -.0229 .0075 .0075 .0077 -.0001 -.0010 .0010 |
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O6 .18346 .19363 .2988 .0081 .0079 .0051 .0034 .0003 .0000 |
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O7 .28630 .28694 -.0034 .0054 .0062 .0061 .0017 .0014 -.0003 |
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O8 .27035 .20965 .6359 .0087 .0049 .0079 .0035 -.0031 -.0009 |
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Hellandite-(Ce) |
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Oberti R, Ottolini L, Camara F, Della Ventura G |
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American Mineralogist 84 (1999) 913-921 |
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Crystal structure of non-metamict Th-rich hellandite-(Ce) from Latium (Italy) |
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and crystal chemistry of the hellandite-group minerals |
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_database_code_amcsd 0002237 |
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19.068 4.745 10.289 90 111.18 90 P2/a |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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B1 .1735 .5271 .4518 .0004 .0049 .0013 .0001 .0003 .0000 |
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B2 .2528 .4618 .1334 .0003 .0044 .0011 .0004 .0003 .0002 |
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Si1 .1040 .4838 .6503 .0003 .0037 .0011 .0001 .0001 -.0001 |
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Si2 .1130 .4980 .1622 .0003 .0065 .0012 -.0001 .0002 .0004 |
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Al1 0 0 0 .83 .0005 .0071 .0020 .0000 .0003 -.0004 |
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Fe1 0 0 0 .65 .0005 .0071 .0020 .0000 .0003 -.0004 |
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Ti1 0 0 0 .41 .0005 .0071 .0020 .0000 .0003 -.0004 |
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Mg1 0 0 0 .11 .0005 .0071 .0020 .0000 .0003 -.0004 |
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Ca2 .0430 .0171 .3609 .70 .0005 .0066 .0017 -.0002 .0003 -.0003 |
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Th2 .0430 .0171 .3609 .06 .0005 .0066 .0017 -.0002 .0003 -.0003 |
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U2 .0430 .0171 .3609 .01 .0005 .0066 .0017 -.0002 .0003 -.0003 |
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Y2 .0430 .0171 .3609 .02 .0005 .0066 .0017 -.0002 .0003 -.0003 |
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La2 .0430 .0171 .3609 .05 .0005 .0066 .0017 -.0002 .0003 -.0003 |
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Ce2 .0430 .0171 .3609 .11 .0005 .0066 .0017 -.0002 .0003 -.0003 |
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Pr2 .0430 .0171 .3609 .01 .0005 .0066 .0017 -.0002 .0003 -.0003 |
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Nd2 .0430 .0171 .3609 .04 .0005 .0066 .0017 -.0002 .0003 -.0003 |
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Ca3 .2476 .0028 .6610 .70 .0007 .0061 .0016 .0000 .0004 -.0002 |
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Th3 .2476 .0028 .6610 .06 .0007 .0061 .0016 .0000 .0004 -.0002 |
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U3 .2476 .0028 .6610 .01 .0007 .0061 .0016 .0000 .0004 -.0002 |
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Y3 .2476 .0028 .6610 .02 .0007 .0061 .0016 .0000 .0004 -.0002 |
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La3 .2476 .0028 .6610 .05 .0007 .0061 .0016 .0000 .0004 -.0002 |
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Ce3 .2476 .0028 .6610 .11 .0007 .0061 .0016 .0000 .0004 -.0002 |
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Pr3 .2476 .0028 .6610 .01 .0007 .0061 .0016 .0000 .0004 -.0002 |
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Nd3 .2476 .0028 .6610 .04 .0007 .0061 .0016 .0000 .0004 -.0002 |
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Ca4 .1567 -.0333 .9312 .70 .0005 .0093 .0022 .0002 .0005 .0004 |
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Th4 .1567 -.0333 .9312 .06 .0005 .0093 .0022 .0002 .0005 .0004 |
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U4 .1567 -.0333 .9312 .01 .0005 .0093 .0022 .0002 .0005 .0004 |
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Y4 .1567 -.0333 .9312 .02 .0005 .0093 .0022 .0002 .0005 .0004 |
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La4 .1567 -.0333 .9312 .05 .0005 .0093 .0022 .0002 .0005 .0004 |
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Ce4 .1567 -.0333 .9312 .11 .0005 .0093 .0022 .0002 .0005 .0004 |
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Pr4 .1567 -.0333 .9312 .01 .0005 .0093 .0022 .0002 .0005 .0004 |
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Nd4 .1567 -.0333 .9312 .04 .0005 .0093 .0022 .0002 .0005 .0004 |
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Be .0373 .5444 .8659 .37 .0010 .0091 .0031 -.0014 .0010 -.0004 |
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Li .0373 .5444 .8659 .12 .0010 .0091 .0031 -.0014 .0010 -.0004 |
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H .0434 .3712 .8889 .25 1.00 |
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O1 .0440 .2445 .5675 .0004 .0075 .0017 -.0007 .0002 -.0006 |
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O2 .1787 .3176 .7582 .0003 .0058 .0018 .0001 .0000 -.0002 |
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O3 .0715 -.3033 .7365 .0006 .0131 .0037 .0008 .0004 -.0033 |
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O4 .1330 -.3339 .5413 .0007 .0059 .0019 -.0001 .0006 .0003 |
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O5 .0370 .1930 .8702 .75 .0007 .0100 .0028 -.0001 .0006 -.0001 |
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F5 .0370 .1930 .8702 .25 .0007 .0100 .0028 -.0001 .0006 -.0001 |
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O6 .2469 -.2427 .8585 .0005 .0045 .0018 .0001 .0003 .0003 |
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O7 .1682 .2313 .4468 .0005 .0034 .0020 -.0003 .0003 -.0004 |
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O8 .1334 .6717 .3092 .0007 .0074 .0016 .0005 .0001 -.0003 |
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O9 .1863 .3251 .1583 .0005 .0076 .0027 .0002 .0006 .0013 |
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O10 .0847 .7267 .0387 .0005 .0182 .0036 .0003 .0003 .0056 |
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O11 .0515 .2578 .1568 .0008 .0206 .0020 -.0022 .0001 .0016 |
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O12 .25 .3368 0 .0012 .0051 .0009 0 .0006 0 |
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O13 .25 .6483 .5 .0003 .0037 .0028 0 .0002 0 |
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Chondrodite |
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Ottolini L, Camara F, Bigi S |
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American Mineralogist 85 (2000) 89-102 |
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An investigation of matrix effects in the analysis of fluorine in humite-group |
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minerals by EMPA, SIMS, and SREF |
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Sample: Chum HV-41 n.2 |
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_database_code_amcsd 0002337 |
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4.7405 10.2377 13.6496 100.843 90 90 P2_1/b |
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atom x y z occ Biso |
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Si1 .07329 .06623 .38930 .31 |
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Si2 .07641 .17670 .83511 .31 |
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Mg1A .5 0 .5 .46 |
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Mg1B .49743 .94627 .27421 .48 |
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Mg25 .00928 .14038 .17026 .49 |
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Mg26 .50876 .25023 .38825 .45 |
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Mg3 .49277 .87792 .04299 .52 |
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O11 .73294 .06451 .38811 .41 |
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O12 .27787 .41947 .38776 .40 |
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O13 .22308 .11240 .29312 .43 |
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O14 .22238 .15881 .48636 .43 |
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O21 .23624 .32276 .16287 .40 |
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O22 .77897 .96885 .16257 .44 |
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O23 .72430 .27994 .26273 .45 |
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O24 .72808 .22680 .07021 .45 |
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F5 .26152 .04630 .05566 .64 .68 |
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O5 .26152 .04630 .05566 .36 .68 |
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H .067 -.021 .013 .33 4.51 |
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Clinohumite |
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Ottolini L, Camara F, Bigi S |
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American Mineralogist 85 (2000) 89-102 |
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An investigation of matrix effects in the analysis of fluorine in humite-group |
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minerals by EMPA, SIMS, and SREF |
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Sample: Chum HV-41 n.3 |
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_database_code_amcsd 0002338 |
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4.7396 10.2328 13.6439 100.843 90 90 P2_1/b |
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atom x y z occ Biso |
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Si1 .07341 .06624 .38934 .32 |
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Si2 .07655 .17672 .83514 .31 |
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Mg1A .5 0 .5 .51 |
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Mg1B .49760 .94628 .27423 .5 |
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Mg25 .00935 .14043 .17024 .5 |
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Mg26 .50894 .25023 .38823 .49 |
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Mg3 .49291 .87778 .04305 .52 |
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O11 .73319 .06451 .38810 .38 |
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O12 .27818 .41946 .38781 .42 |
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O13 .22349 .11244 .29321 .43 |
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O14 .22232 .15885 .48631 .44 |
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O21 .23585 .32291 .16289 .40 |
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O22 .77862 .96886 .16249 .43 |
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O23 .72435 .27998 .26271 .42 |
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O24 .72776 .22658 .07007 .45 |
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F5 .26193 .04644 .05568 .52 .67 |
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O5 .26193 .04644 .05568 .48 .67 |
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H .084 .001 .021 .46 4.35 |
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|   |
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Chondrodite |
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Ottolini L, Camara F, Bigi S |
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American Mineralogist 85 (2000) 89-102 |
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An investigation of matrix effects in the analysis of fluorine in humite-group |
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minerals by EMPA, SIMS, and SREF |
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Sample: Chond HV-43 n.3 |
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_database_code_amcsd 0002339 |
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4.7230 10.2584 7.8504 109.076 90 90 P2_1/b |
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atom x y z occ Biso |
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Si .07656 .14403 .70374 .35 |
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Mg1 .5 0 .5 .52 |
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Mg2 .00943 .17358 .30654 .49 |
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Mg3 .49214 .88645 .07927 .49 |
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O1 .77761 .00156 .29407 .46 |
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O2 .72731 .24074 .12567 .42 |
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O3 .22439 .16824 .52798 .41 |
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O4 .26401 .85487 .29478 .39 |
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F5 .26227 .05742 .10053 .62 .68 |
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O5 .26227 .05742 .10053 .38 .68 |
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H .143 .024 .021 .38 3.79 |
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|   |
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Chondrodite |
 |
Ottolini L, Camara F, Bigi S |
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American Mineralogist 85 (2000) 89-102 |
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An investigation of matrix effects in the analysis of fluorine in humite-group |
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minerals by EMPA, SIMS, and SREF |
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Sample: Chond HV-43 n.4 |
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_database_code_amcsd 0002340 |
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4.7226 10.2564 7.8490 109.076 90 90 P2_1/b |
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atom x y z occ Biso |
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Si .07642 .14413 .70375 .37 |
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Mg1 .5 0 .5 .51 |
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Mg2 .00936 .17352 .30652 .5 |
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Mg3 .49218 .88645 .07939 .5 |
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O1 .77749 .00158 .29381 .48 |
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O2 .72730 .24078 .12569 .45 |
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O3 .22456 .16834 .52795 .45 |
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O4 .26413 .85492 .29496 .42 |
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F .26252 .05756 .10064 .62 .73 |
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O5 .26252 .05756 .10064 .38 .73 |
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H .100 .016 .023 .38 .41 |
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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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|   |
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Fluoborite |
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Camara F, Ottolini L |
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American Mineralogist 85 (2000) 103-107 |
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New data on the crystal-chemistry of fluoborite |
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by means of SREF, SIMS and EMP analysis |
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Sample: Fbor 2V-43 n.2 |
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_database_code_amcsd 0002341 |
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8.8612 8.8612 3.1021 90 90 120 P6_3/m |
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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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B 2/3 1/3 .75 .00158 .00158 .00759 .00079 0 0 |
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Mg .36904 .03123 .25 .00247 .00211 .01244 .00122 0 0 |
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H .168 .113 .25 1.02 |
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O .55223 .15481 .75 .00201 .00152 .01510 .00070 0 0 |
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F .29653 .20836 .25 .00545 .00333 .01555 .00302 0 0 |
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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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|   |
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Fluoborite |
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Camara F, Ottolini L |
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American Mineralogist 85 (2000) 103-107 |
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New data on the crystal-chemistry of fluoborite |
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by means of SREF, SIMS and EMP analysis |
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Sample: Fbor HV-43 n.3 |
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_database_code_amcsd 0002342 |
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8.8602 8.8602 3.1021 90 90 120 P6_3/m |
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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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B 2/3 1/3 .75 .00155 .00155 .00930 .00077 0 0 |
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Mg .36902 .03119 .25 .00241 .00211 .01245 .00122 0 0 |
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H .167 .111 .25 4.34 |
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O .55233 .15487 .75 .00205 .00161 .01477 .00069 0 0 |
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F .29646 .20828 .25 .00555 .00337 .01582 .00307 0 0 |
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Obertiite |
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Hawthorne F C, Cooper M A, Grice J D, Ottolini L |
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American Mineralogist 85 (2000) 236-241 |
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A new anhydrous amphibole from the Eifel region, Germany: |
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Description and crystal structure of obertiite, NaNa2(Mg3FeTi)Si8O22O2 |
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Note: M1A and M1 are interchanged in the bond length table |
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_database_code_amcsd 0002347 |
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9.776 17.919 5.292 90 104.05 90 C2/m |
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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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O1 .1136 .0858 .2176 .0062 .0047 .0091 .0000 .0007 .0005 |
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O2 .1170 .1652 .7249 .0052 .0128 .0040 .0000 .0001 -.0007 |
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O3 .1034 0 .7061 .0054 .0127 .0043 0 .0021 0 |
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O4 .3578 .2508 .7995 .0115 .0068 .0111 .0012 .0005 -.0036 |
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O5 .3497 .1276 .0805 .0069 .0130 .0075 .0049 .0030 -.0008 |
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O6 .3461 .1200 .5798 .0084 .0105 .0066 -.0046 .0003 -.0001 |
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O7 .3434 0 .2996 .0099 .0087 .0138 0 .0051 0 |
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SiT1 .2836 .08524 .2941 .0058 .0055 .0050 -.0004 .0013 .0008 |
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SiT2 .2883 .17078 .7985 .0051 .0063 .0040 .0003 .0001 -.0008 |
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Ti1A 0 .0788 .5 .43 .0094 .0094 .0047 0 .0002 0 |
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Mn1A 0 .0788 .5 .185 .0094 .0094 .0047 0 .0002 0 |
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Mg1 0 .0910 .5 .385 .0094 .0094 .0047 0 .0002 0 |
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Mg2 0 .18172 0 .66 .0077 .0084 .0069 0 .0024 0 |
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Fe2 0 .18172 0 .325 .0077 .0084 .0069 0 .0024 0 |
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Al2 0 .18172 0 .015 .0077 .0084 .0069 0 .0024 0 |
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Mg3 0 0 0 .04 .0068 .0082 .0081 0 .0007 0 |
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Na4 0 .2738 .5 .92 .0240 .0159 .0253 0 .0160 0 |
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Fe4 0 .2738 .5 .03 .0240 .0159 .0253 0 .0160 0 |
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Ca4 0 .2738 .5 .0240 .0159 .0253 0 .0160 0 |
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KAm .048 .5 .101 .09 .0200 |
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NaAm .048 .5 .101 .19 .0200 |
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NaA2 0 .4886 0 .22 .0200 |
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Sodic-ferripedrizite |
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Oberti R, Caballero J M, Ottolini L, Lopez-Andres S, Herreros V |
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American Mineralogist 85 (2000) 578-585 |
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Sodic-ferripedrizite, a new monoclinic amphibole |
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bridging the magnesium-iron-manganese-lithium and the sodium-calcium groups |
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Note: site occupancy unknown |
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Sample: crystal P(1) |
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_database_code_amcsd 0002422 |
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9.536 17.797 5.278 90 102.54 90 C2/m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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O1 .1114 .0906 .2083 .0014 .0005 .0055 -.0001 .0005 -.0001 |
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O2 .1209 .1725 .7311 .0016 .0006 .0064 .0001 .0006 -.0001 |
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Oh3 .1150 0 .6973 .58 .0028 .0007 .0093 0 .0003 0 |
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F3 .1150 0 .6973 .42 .0028 .0007 .0093 0 .0003 0 |
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O4 .3726 .2508 .7862 .0032 .0005 .0080 -.0005 .0003 .0002 |
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O5 .3542 .1292 .0684 .0018 .0009 .0054 0 .0005 .0010 |
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O6 .3471 .1198 .5683 .0020 .0009 .0063 .0001 .0007 -.0009 |
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O7 .3404 0 .2826 .0021 .0004 .0128 0 .0010 0 |
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SiT1 .2835 .0863 .2811 .0014 .0003 .0038 0 .0003 0 |
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SiT2 .2952 .1714 .7897 .0015 .0003 .0039 -.0001 .0003 0 |
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FeM1 0 .0859 .5 .16 .0021 .0005 .0049 0 .0012 0 |
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MgM1 0 .0859 .5 .88 .0021 .0005 .0049 0 .0012 0 |
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FeM2 0 .1795 0 .83 .0015 .0004 .0046 0 .0004 0 |
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AlM2 0 .1795 0 .10 .0015 .0004 .0046 0 .0004 0 |
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LiM3 0 0 0 .88 .0037 .0006 .0082 0 .0001 0 |
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NaM4 0 .2712 .5 .30 .0061 .0020 .0125 0 .0049 0 |
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CaM4 0 .2712 .5 .02 .0061 .0020 .0125 0 .0049 0 |
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LiM4' 0 .2452 .5 .68 .0080 |
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KA 0 .5 0 .03 .0010 .0037 .0064 0 .0016 0 |
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NaAm .0660 .5 .1340 .35 .0096 .0013 .0304 0 .0137 0 |
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H .1684 0 .7115 .58 .0188 |
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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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|   |
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Sodic-ferripedrizite |
| |
Oberti R, Caballero J M, Ottolini L, Lopez-Andres S, Herreros V |
 |
American Mineralogist 85 (2000) 578-585 |
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Sodic-ferripedrizite, a new monoclinic amphibole |
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bridging the magnesium-iron-manganese-lithium and the sodium-calcium groups |
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Note: site occupancy unknown |
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Sample: crystal P(2) |
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_database_code_amcsd 0002423 |
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9.534 17.785 5.278 90 102.52 90 C2/m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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O1 .1116 .0906 .2081 .0014 .0005 .0045 0 .0002 0 |
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O2 .1210 .1726 .7311 .0013 .0006 .0061 0 .0007 -.0001 |
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Oh3 .1158 0 .6966 .53 .0033 .0007 .0110 0 .0006 0 |
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F3 .1158 0 .6966 .47 .0033 .0007 .0110 0 .0006 0 |
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O4 .3727 .2507 .7856 .0033 .0005 .0067 -.0005 .0003 0 |
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O5 .3544 .1292 .0679 .0018 .0008 .0054 0 .0005 .0009 |
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O6 .3469 .1198 .5680 .0020 .0009 .0062 .0002 .0010 -.0009 |
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O7 .3407 0 .2833 .0020 .0003 .0140 0 .0003 0 |
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SiT1 .2835 .0864 .2811 .0014 .0003 .0036 0 .0002 0 |
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SiT2 .2953 .1715 .7894 .0014 .0003 .0038 -.0001 .0002 -.0001 |
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FeM1 0 .0857 .5 .16 .0018 .0005 .0043 0 .0013 0 |
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MgM1 0 .0857 .5 .88 .0018 .0005 .0043 0 .0013 0 |
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FeM2 0 .1794 0 .83 .0012 .0004 .0045 0 .0004 0 |
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AlM2 0 .1794 0 .10 .0012 .0004 .0045 0 .0004 0 |
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LiM3 0 0 0 .88 .0026 .0006 .0065 0 -.0003 0 |
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NaM4 0 .2702 .5 .18 .0044 .0019 .0089 0 .0037 0 |
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CaM4 0 .2702 .5 .02 .0044 .0019 .0089 0 .0037 0 |
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LiM4' 0 .2435 .5 .80 .0099 |
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KA 0 .5 0 .03 .0041 .0012 .0133 0 .0074 0 |
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NaAm .0671 .5 .1364 .48 .0095 .0014 .0254 0 .1258 0 |
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H .1973 0 .7580 .53 .0365 |
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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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|   |
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Peprossiite-(Ce) |
 |
Callegari A, Caucia F, Mazzi F, Oberti R, Ottolini L, Ungaretti L |
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American Mineralogist 85 (2000) 586-593 |
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The crystal structure of peprossiite-(Ce), and anhydrous REE and Al mica-like borate |
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with square-pyramidal coordination for Al |
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Sample: Pep1 |
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_database_code_amcsd 0002424 |
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4.612 4.612 9.374 90 90 120 P-62m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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PrM2 0 0 0 .818 .0122 .0122 .0083 .0061 0 0 |
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CaM2 0 0 0 .102 .0122 .0122 .0083 .0061 0 0 |
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AlM1 .3889 0 .5 2/3 .0046 .0048 .0060 .0024 0 0 |
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BT 1/3 2/3 .2202 .967 .0078 .0078 .0059 .0039 0 0 |
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SiT 1/3 2/3 .2202 .033 .0078 .0078 .0059 .0039 0 0 |
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O1 1/3 2/3 .3754 .0092 .0092 .0054 .0046 0 0 |
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O2 .4215 0 .1612 .0131 .0072 .0087 .0036 -.0030 0 |
|
O3 0 0 .5 2/3 .0046 .0046 .0086 .0023 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Peprossiite-(Ce) |
 |
Callegari A, Caucia F, Mazzi F, Oberti R, Ottolini L, Ungaretti L |
 |
American Mineralogist 85 (2000) 586-593 |
|
The crystal structure of peprossiite-(Ce), and anhydrous REE and Al mica-like |
|
borate with square-pyramidal coordination for Al |
|
Sample: Pep2 |
|
_database_code_amcsd 0002425 |
|
4.596 4.596 9.309 90 90 120 P-62m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
LaM2 0 0 0 .785 .0084 .0084 .0086 .0042 0 0 |
|
ThM2 0 0 0 .215 .0084 .0084 .0086 .0042 0 0 |
|
AlM1 .3889 0 .5 2/3 .0056 .0044 .0096 .0022 0 0 |
|
BT 1/3 2/3 .2196 .0052 .0052 .0082 .0026 0 0 |
|
O1 1/3 2/3 .3744 .0090 .0090 .0078 .0045 0 0 |
|
O2 .4180 0 .1592 .0101 .0034 .0149 .0017 -.0020 0 |
|
O3 0 0 .5 2/3 .0030 .0030 .0141 .0015 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cordierite |
 |
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
 |
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: 1997-1 SE-India |
|
_database_code_amcsd 0002605 |
|
17.0568 9.7154 9.3472 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33743 0 .25 .992 .00625 .00522 .00607 .00745 0 0 -.00008 |
|
FeM .33743 0 .25 .008 .00625 .00522 .00607 .00745 0 0 -.00008 |
|
AlT11 .25 .25 .25015 .991 .00553 .00656 .00502 .00499 .00136 0 0 |
|
FeT11 .25 .25 .25015 .009 .00553 .00656 .00502 .00499 .00136 0 0 |
|
SiT16 0 .5 .25 .00448 .00371 .00561 .00412 0 0 0 |
|
SiT21 .19266 .07779 0 .00405 .00428 .00351 .00436 .00028 0 0 |
|
SiT23 .13516 -.23754 0 .00414 .00377 .00421 .00444 -.00059 0 0 |
|
AlT26 .05091 .30795 0 .00440 .00358 .00488 .00472 .00051 0 0 |
|
O11 .24743 -.10271 .35880 .00722 .00886 .00655 .00625 -.00073 .00279 -.00107 |
|
O16 .06242 -.41629 .34900 .00711 .00573 .00903 .00657 -.00088 .00020 -.00312 |
|
O13 -.17328 -.31056 .35852 .00731 .00789 .00773 .00630 .00127 -.00202 -.00221 |
|
O26 .04309 -.24797 0 .01146 .00437 .01486 .01515 -.00198 0 0 |
|
O21 .12243 .18464 0 .01089 .00839 .00916 .01514 .00508 0 0 |
|
O23 .16455 -.07972 0 .01064 .01244 .00471 .01477 -.00266 0 0 |
|
WatCh1 0 0 .25 .54 .193 .362 .134 .084 0 0 0 |
|
NaCh2 0 0 0 .044 .029 .017 .025 .046 .003 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cordierite |
 |
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
 |
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: 126231 Tanzania |
|
_database_code_amcsd 0002606 |
|
17.0645 9.7281 9.3515 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33736 0 .25 .917 .00639 .00543 .00592 .00782 0 0 -.00016 |
|
FeM .33736 0 .25 .083 .00639 .00543 .00592 .00782 0 0 -.00016 |
|
AlT11 .25 .25 .25020 .985 .00585 .00694 .00534 .00529 .00145 0 0 |
|
FeT11 .25 .25 .25020 .015 .00585 .00694 .00534 .00529 .00145 0 0 |
|
SiT16 0 .5 .25 .992 .00492 .00428 .00596 .00450 0 0 0 |
|
FeT16 0 .5 .25 .008 .00492 .00428 .00596 .00450 0 0 0 |
|
SiT21 .19258 .07786 0 .00421 .00451 .00355 .00457 .00025 0 0 |
|
SiT23 .13513 -.23727 0 .00435 .00395 .00443 .00467 -.00055 0 0 |
|
AlT26 .05091 .30800 0 .00453 .00388 .00489 .00481 .00046 0 0 |
|
O11 .24727 -.10284 .35879 .00783 .00980 .00692 .00676 -.00046 .00322 -.00096 |
|
O16 .06223 -.41618 .34898 .00748 .00634 .00913 .00696 -.00072 .00027 -.00314 |
|
O13 -.17310 -.31010 .35851 .00800 .00805 .00859 .00735 .00131 -.00190 -.00240 |
|
O26 .04303 -.24727 0 .01158 .00442 .01468 .01565 -.00236 0 0 |
|
O21 .12227 .18445 0 .01156 .00934 .00969 .01564 .00528 0 0 |
|
O23 .16444 -.07961 0 .01104 .01240 .00450 .01620 -.00292 0 0 |
|
WatCh1 0 0 .25 .38 .161 |
|
NaCh2 0 0 0 .084 .038 .038 .022 .053 0 0 0 |
|
CCh1c 0 0 .25 .192 .031 |
|
OCh1x .05953 0 .25 .192 .082 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cordierite |
 |
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
 |
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: Zimbabwe |
|
_database_code_amcsd 0002607 |
|
17.0807 9.7307 9.3427 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33745 0 .25 .876 .00657 .00575 .00559 .00837 0 0 -.00009 |
|
FeM .33745 0 .25 .124 .00657 .00575 .00559 .00837 0 0 -.00009 |
|
AlT11 .25 .25 .25012 .982 .00600 .00738 .00503 .00560 .00127 0 0 |
|
FeT11 .25 .25 .25012 .018 .00600 .00738 .00503 .00560 .00127 0 0 |
|
SiT16 0 .5 .25 .00470 .00434 .00526 .00448 0 0 0 |
|
SiT21 .19236 .07792 0 .00428 .00476 .00317 .00492 .00015 0 0 |
|
SiT23 .13511 -.23720 0 .00436 .00416 .00385 .00506 -.00064 0 0 |
|
AlT26 .05075 .30775 0 .00453 .00416 .00446 .00496 .00045 0 0 |
|
O11 .24702 -.10287 .35867 .00782 .01023 .00631 .00693 -.00084 .00305 -.00113 |
|
O16 .06219 -.41604 .34894 .00748 .00687 .00863 .00695 -.00100 .00019 -.00318 |
|
O13 -.17324 -.30991 .35840 .00773 .00830 .00791 .00700 .00123 -.00196 -.00236 |
|
O26 .04317 -.24805 0 .01142 .00459 .01426 .01542 -.00204 0 0 |
|
O21 .12222 .18444 0 .01126 .00924 .00928 .01526 .00504 0 0 |
|
O23 .16426 -.07955 0 .01093 .01268 .00471 .01542 -.00320 0 0 |
|
WatCh1 0 0 .25 .39 .161 .298 .133 .052 0 0 0 |
|
NaCh2 0 0 0 .052 .025 .021 .010 .044 -.003 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cordierite |
 |
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
 |
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: 1960728, Orijarvi, Finland |
|
_database_code_amcsd 0002608 |
|
17.0994 9.7358 9.3360 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33750 0 .25 .802 .00647 .00534 .00578 .00830 0 0 -.00006 |
|
FeM .33750 0 .25 .198 .00647 .00534 .00578 .00830 0 0 -.00006 |
|
AlT11 .25 .25 .25009 .986 .00589 .00701 .00551 .00516 .00129 0 0 |
|
FeT11 .25 .25 .25009 .014 .00589 .00701 .00551 .00516 .00129 0 0 |
|
SiT16 0 .5 .25 .00483 .00427 .00568 .00456 0 0 0 |
|
SiT21 .19217 .07803 0 .00431 .00448 .00364 .00481 .00034 0 0 |
|
SiT23 .13511 -.23680 0 .00436 .00385 .00446 .00477 -.00062 0 0 |
|
AlT26 .05062 .30761 0 .00460 .00390 .00473 .00518 .00048 0 0 |
|
O11 .24680 -.10308 .35863 .00768 .00961 .00668 .00675 -.00057 .00306 -.00109 |
|
O16 .06207 -.41588 .34889 .00767 .00641 .00900 .00759 -.00123 .00053 -.00326 |
|
O13 -.17331 -.30949 .35834 .00768 .00797 .00850 .00659 .00141 -.00186 -.00213 |
|
O26 .04329 -.24819 0 .01161 .00400 .01531 .01552 -.00219 0 0 |
|
O21 .12211 .18473 0 .01148 .00873 .00923 .01647 .00520 0 0 |
|
O23 .16429 -.07925 0 .01124 .01282 .00443 .01646 -.00260 0 0 |
|
WatCh1 0 0 .25 .50 .246 .599 .094 .045 0 0 0 |
|
NaCh2 0 0 0 .046 .039 .027 .032 .058 .007 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cordierite |
 |
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
 |
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: 85131, Mt Bity, Madagaskar |
|
_database_code_amcsd 0002609 |
|
17.0987 9.7388 9.3347 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33746 0 .25 .807 .00652 .00541 .00571 .00843 0 0 -.00003 |
|
FeM .33746 0 .25 .193 .00652 .00541 .00571 .00843 0 0 -.00003 |
|
AlT11 .25 .25 .25009 .981 .00610 .00722 .00557 .00550 .00132 0 0 |
|
FeT11 .25 .25 .25009 .019 .00610 .00722 .00557 .00550 .00132 0 0 |
|
SiT16 0 .5 .25 .992 .00498 .00449 .00574 .00469 0 0 0 |
|
FeT16 0 .5 .25 .008 .00498 .00449 .00574 .00469 0 0 0 |
|
SiT21 .19213 .07807 0 .00426 .00444 .00343 .00491 .00022 0 0 |
|
SiT23 .13511 -.23686 0 .00433 .00378 .00431 .00491 -.00060 0 0 |
|
AlT26 .05064 .30764 0 .00455 .00384 .00477 .00503 .00057 0 0 |
|
O11 .24677 -.10308 .35865 .00781 .00994 .00659 .00690 -.00061 .00318 -.00100 |
|
O16 .06208 -.41594 .34889 .00768 .00671 .00907 .00725 -.00127 .00034 -.00338 |
|
O13 -.17326 -.30947 .35835 .00776 .00818 .00812 .00699 .00133 -.00207 -.00238 |
|
O26 .04321 -.24788 0 .01167 .00412 .01461 .01629 -.00206 0 0 |
|
O21 .12197 .18448 0 .01145 .00902 .00926 .01608 .00543 0 0 |
|
O23 .16417 -.07919 0 .01105 .01252 .00480 .01581 -.00288 0 0 |
|
WatCh1 0 0 .25 .55 .195 .359 .154 .071 0 0 0 |
|
NaCh2 0 0 0 .056 .037 .051 .016 .044 -.001 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cordierite |
 |
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
 |
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: g13994, Dolny Bory , Czech Republic |
|
_database_code_amcsd 0002610 |
|
17.2232 9.8261 9.2989 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33698 0 .25 .077 .00741 .00592 .00639 .00991 0 0 -.00012 |
|
FeM .33698 0 .25 .888 .00741 .00592 .00639 .00991 0 0 -.00012 |
|
LiM .33698 0 .25 .035 .00741 .00592 .00639 .00991 0 0 -.00012 |
|
AlT11 .25 .25 .25007 .984 .00688 .00783 .00652 .00628 .00109 0 0 |
|
FeT11 .25 .25 .25007 .016 .00688 .00783 .00652 .00628 .00109 0 0 |
|
SiT16 0 .5 .25 .995 .00582 .00516 .00662 .00569 0 0 0 |
|
FeT16 0 .5 .25 .005 .00582 .00516 .00662 .00569 0 0 0 |
|
SiT21 .19001 .07904 0 .00482 .00496 .00369 .00579 .00020 0 0 |
|
SiT23 .13473 -.23442 0 .00499 .00413 .00495 .00588 -.00057 0 0 |
|
AlT26 .04982 .30742 0 .00521 .00422 .00550 .00592 .00074 0 0 |
|
O11 .24419 -.10452 .35794 .00863 .01087 .00734 .00767 -.00070 .00259 -.00097 |
|
O16 .06097 -.41472 .34885 .00876 .00756 .01013 .00860 -.00108 .00066 -.00378 |
|
O13 -.17306 -.30569 .35772 .00890 .00898 .00967 .00805 .00173 -.00210 -.00195 |
|
O26 .04325 -.24690 0 .01325 .00514 .01685 .01778 -.00246 0 0 |
|
O21 .11960 .18377 0 .01295 .01000 .01069 .01817 .00668 0 0 |
|
O23 .16227 -.07697 0 .01283 .01451 .00531 .01868 -.00327 0 0 |
|
WatCh1 0 0 .25 .43 .078 .129 .057 .047 0 0 0 |
|
NaCh2 0 0 0 .162 .026 .027 .011 .040 -.001 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cordierite |
 |
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
 |
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: 1997-1 SE-India, T = 900 C, t = 24 h, in air |
|
_database_code_amcsd 0002611 |
|
17.071 9.717 9.3479 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33748 0 .25 .988 .00620 .00553 .00583 .00723 0 0 -.00005 |
|
FeM .33748 0 .25 .012 .00620 .00553 .00583 .00723 0 0 -.00005 |
|
AlT11 .25 .25 .25011 .988 .00525 .00645 .00477 .00454 .00143 0 0 |
|
FeT11 .25 .25 .25011 .012 .00525 .00645 .00477 .00454 .00143 0 0 |
|
SiT16 0 .5 .25 .994 .00438 .00389 .00539 .00386 0 0 0 |
|
FeT16 0 .5 .25 .006 .00438 .00389 .00539 .00386 0 0 0 |
|
SiT21 .19262 .07779 0 .00376 .00420 .00319 .00389 .00015 0 0 |
|
SiT23 .13516 -.23764 0 .00385 .00380 .00386 .00389 -.00056 0 0 |
|
AlT26 .05083 .30787 0 .00403 .00346 .00450 .00412 .00045 0 0 |
|
O11 .24734 -.10261 .35881 .00700 .00862 .00636 .00601 -.00064 .00274 -.00101 |
|
O16 .06241 -.41623 .34899 .00679 .00579 .00850 .00610 -.00076 .00014 -.00307 |
|
O13 -.17334 -.31051 .35846 .00703 .00782 .00728 .00600 .00132 -.00183 -.00222 |
|
O26 .04329 -.24896 0 .01068 .00446 .01368 .01391 -.00173 0 0 |
|
O21 .12251 .18478 0 .01048 .00807 .00902 .01434 .00508 0 0 |
|
O23 .16447 -.07972 0 .01032 .01155 .00438 .01502 -.00290 0 0 |
|
NaCh2 0 0 0 .067 .124 .061 .047 .263 -.007 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cordierite |
 |
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
 |
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample:126231 Tanzania, T = 900 C, t = 24h |
|
_database_code_amcsd 0002612 |
|
17.089 9.729 9.350 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33750 0 .25 .908 .00648 .00540 .00611 .00793 0 0 -.00006 |
|
FeM .33750 0 .25 .092 .00648 .00540 .00611 .00793 0 0 -.00006 |
|
AlT11 .25 .25 .25014 .988 .00580 .00670 .00535 .00535 .00131 0 0 |
|
FeT11 .25 .25 .25014 .012 .00580 .00670 .00535 .00535 .00131 0 0 |
|
SiT16 0 .5 .25 .00468 .00400 .00567 .00437 0 0 0 |
|
SiT21 .19241 .07782 0 .00419 .00441 .00368 .00449 .00023 0 0 |
|
SiT23 .13509 -.23748 0 .00427 .00377 .00443 .00460 -.00061 0 0 |
|
AlT26 .05078 .30787 0 .00452 .00375 .00500 .00479 .00057 0 0 |
|
O11 .24706 -.10275 .35876 .00777 .00958 .00707 .00666 -.00055 .00302 -.00077 |
|
O16 .06229 -.41607 .34893 .00745 .00620 .00912 .00703 -.00095 .00024 -.00316 |
|
O13 -.17325 -.31013 .35842 .00779 .00792 .00847 .00698 .00127 -.00208 -.00236 |
|
O26 .04320 -.24863 0 .01139 .00439 .01494 .01484 -.00221 0 0 |
|
O21 .12219 .18450 0 .01137 .00940 .00971 .01499 .00563 0 0 |
|
O23 .16419 -.07953 0 .01107 .01253 .00486 .01582 -.00307 0 0 |
|
NaCh2 0 0 0 .086 .066 .051 .019 .128 0 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cordierite |
 |
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
 |
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: Zimbabwe, T = 900 C, t = 24h |
|
_database_code_amcsd 0002613 |
|
17.096 9.729 9.342 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33748 0 .25 .875 .00678 .00577 .00613 .00845 0 0 -.00005 |
|
FeM .33748 0 .25 .125 .00678 .00577 .00613 .00845 0 0 -.00005 |
|
AlT11 .25 .25 .25010 .992 .00599 .00705 .00535 .00557 .00109 0 0 |
|
FeT11 .25 .25 .25010 .008 .00599 .00705 .00535 .00557 .00109 0 0 |
|
SiT16 0 .5 .25 .00505 .00445 .00583 .00485 0 0 0 |
|
SiT21 .19230 .07793 0 .00452 .00485 .00374 .00496 .00013 0 0 |
|
SiT23 .13508 -.23728 0 .00458 .00412 .00452 .00511 -.00066 0 0 |
|
AlT26 .05070 .30776 0 .00480 .00415 .00506 .00520 .00055 0 0 |
|
O11 .24692 -.10287 .35864 .00804 .01004 .00697 .00712 -.00056 .00295 -.00089 |
|
O16 .06223 -.41597 .34892 .00770 .00654 .00914 .00742 -.00100 .00020 -.00321 |
|
O13 -.17333 -.30993 .35840 .00806 .00815 .00864 .00738 .00122 -.00198 -.00233 |
|
O26 .04327 -.24890 0 .01181 .00482 .01511 .01550 -.00210 0 0 |
|
O21 .12214 .18465 0 .01157 .00947 .00961 .01564 .00524 0 0 |
|
O23 .16414 -.07939 0 .01133 .01299 .00505 .01596 -.00297 0 0 |
|
NaCh2 0 0 0 .074 .083 .058 .019 .171 .002 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cordierite |
 |
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
 |
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: 85131, Mt. Bity, Madagaskar, T = 900 C, t = 24 h |
|
_database_code_amcsd 0002614 |
|
17.1135 9.7359 9.3330 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33754 0 .25 .810 .00665 .00529 .00583 .00883 0 0 -.00007 |
|
FeM .33754 0 .25 .190 .00665 .00529 .00583 .00883 0 0 -.00007 |
|
AlT11 .25 .25 .25009 .988 .00603 .00679 .00547 .00583 .00110 0 0 |
|
FeT11 .25 .25 .25009 .012 .00603 .00679 .00547 .00583 .00110 0 0 |
|
SiT16 0 .5 .25 .00498 .00446 .00556 .00491 0 0 0 |
|
SiT21 .19202 .07808 0 .00445 .00460 .00341 .00536 .00023 0 0 |
|
SiT23 .13512 -.23696 0 .00453 .00379 .00429 .00550 -.00069 0 0 |
|
AlT26 .05050 .30757 0 .00468 .00388 .00466 .00549 .00055 0 0 |
|
O11 .24663 -.10299 .35858 .00788 .00981 .00661 .00722 -.00081 .00297 -.00070 |
|
O16 .06211 -.41584 .34883 .00781 .00660 .00914 .00769 -.00090 .00007 -.00335 |
|
O13 -.17333 -.30942 .35828 .00805 .00814 .00844 .00757 .00142 -.00212 -.00216 |
|
O26 .04344 -.24918 0 .01148 .00440 .01414 .01591 -.00190 0 0 |
|
O21 .12205 .18480 0 .01152 .00932 .00952 .01572 .00541 0 0 |
|
O23 .16401 -.07922 0 .01139 .01268 .00504 .01644 -.00301 0 0 |
|
NaCh2 0 0 0 .052 .083 .039 .016 .193 .008 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cordierite |
 |
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
 |
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: 1960728 Orijarvi, Finland, T = 900 C, t = 24 h |
|
_database_code_amcsd 0002615 |
|
17.119 9.735 9.334 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33754 0 .25 .791 .00663 .00556 .00583 .00851 0 0 -.00010 |
|
FeM .33754 0 .25 .209 .00663 .00556 .00583 .00851 0 0 -.00010 |
|
AlT11 .25 .25 .25007 .987 .00593 .00688 .00542 .00548 .00128 0 0 |
|
FeT11 .25 .25 .25007 .013 .00593 .00688 .00542 .00548 .00128 0 0 |
|
SiT16 0 .5 .25 .991 .00523 .00490 .00585 .00493 0 0 0 |
|
FeT16 0 .5 .25 .009 .00523 .00490 .00585 .00493 0 0 0 |
|
SiT21 .19202 .07809 0 .00431 .00439 .00352 .00503 .00019 0 0 |
|
SiT23 .13506 -.23699 0 .00444 .00396 .00431 .00505 -.00065 0 0 |
|
AlT26 .05054 .30758 0 .00462 .00387 .00491 .00507 .00072 0 0 |
|
O11 .24663 -.10297 .35844 .00778 .00960 .00669 .00705 -.00072 .00285 -.00101 |
|
O16 .06210 -.41591 .34889 .00770 .00663 .00902 .00745 -.00124 .00022 -.00324 |
|
O13 -.17335 -.30947 .35823 .00771 .00786 .00809 .00720 .00128 -.00202 -.00224 |
|
O26 .04345 -.24929 0 .01136 .00438 .01457 .01513 -.00166 0 0 |
|
O21 .12212 .18498 0 .01142 .00891 .00956 .01579 .00495 0 0 |
|
O23 .16405 -.07917 0 .01092 .01250 .00473 .01554 -.00299 0 0 |
|
NaCh2 0 0 0 .038 .182 .077 .027 .444 -.005 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cordierite |
 |
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
 |
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: Great Bear Lake, T = 900 C, t = 24 h |
|
_database_code_amcsd 0002616 |
|
17.132 9.744 9.330 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33757 0 .25 .725 .00649 .00515 .00551 .00881 0 0 -.00006 |
|
FeM .33757 0 .25 .275 .00649 .00515 .00551 .00881 0 0 -.00006 |
|
AlT11 .25 .25 .25004 .988 .00593 .00693 .00521 .00566 .00117 0 0 |
|
FeT11 .25 .25 .25004 .012 .00593 .00693 .00521 .00566 .00117 0 0 |
|
SiT16 0 .5 .25 .993 .00510 .00474 .00554 .00501 0 0 0 |
|
FeT16 0 .5 .25 .007 .00510 .00474 .00554 .00501 0 0 0 |
|
SiT21 .19183 .07819 0 .00423 .00443 .00322 .00504 .00031 0 0 |
|
SiT23 .13504 -.23677 0 .00446 .00403 .00415 .00521 -.00069 0 0 |
|
AlT26 .05045 .30737 0 .00460 .00392 .00449 .00540 .00048 0 0 |
|
O11 .24639 -.10313 .35861 .00783 .00972 .00645 .00731 -.00039 .00326 -.00093 |
|
O16 .06192 -.41565 .34876 .00779 .00646 .00872 .00818 -.00131 .00060 -.00348 |
|
O13 -.17331 -.30913 .35824 .00780 .00758 .00855 .00725 .00154 -.00208 -.00238 |
|
O26 .04336 -.24898 0 .01162 .00402 .01466 .01619 -.00202 0 0 |
|
O21 .12195 .18469 0 .01120 .00861 .00958 .01542 .00524 0 0 |
|
O23 .16388 -.07901 0 .01115 .01249 .00477 .01618 -.00287 0 0 |
|
NaCh2 0 0 0 .021 .011 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cordierite |
 |
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
 |
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: 94755, Tincup mining district, Wyoming, T = 900 C, t = 24 h |
|
_database_code_amcsd 0002617 |
|
17.138 9.751 9.328 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33744 0 .25 .771 .00715 .00625 .00679 .00841 0 0 -.00009 |
|
FeM .33744 0 .25 .289 .00715 .00625 .00679 .00841 0 0 -.00009 |
|
AlT11 .25 .25 .25005 .995 .00635 .00786 .00628 .00490 .00114 0 0 |
|
FeT11 .25 .25 .25005 .005 .00635 .00786 .00628 .00490 .00114 0 0 |
|
SiT16 0 .5 .25 .00564 .00577 .00657 .00457 0 0 0 |
|
SiT21 .19161 .07831 0 .00500 .00566 .00460 .00475 .00019 0 0 |
|
SiT23 .13501 -.23658 0 .00502 .00486 .00543 .00478 -.00056 0 0 |
|
AlT26 .05037 .30762 0 .00522 .00482 .00606 .00480 .00071 0 0 |
|
O11 .24616 -.10329 .35854 .00859 .01134 .00811 .00633 -.00059 .00313 -.00083 |
|
O16 .06194 -.41571 .34891 .00862 .00815 .01047 .00725 -.00150 .00079 -.00322 |
|
O13 -.17335 -.30888 .35817 .00872 .00940 .00972 .00702 .00136 -.00228 -.00231 |
|
O26 .04342 -.24893 0 .01254 .00600 .01612 .01551 -.00234 0 0 |
|
O21 .12162 .18469 0 .01254 .01122 .01063 .01578 .00557 0 0 |
|
O23 .16365 -.07891 0 .01218 .01390 .00634 .01630 -.00294 0 0 |
|
NaCh2 0 0 0 .066 .090 .041 .016 .212 .007 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cordierite |
 |
Malcherek T, Domeneghetti M C, Tazzoli V, Ottolini L, McCammon C A, Carpenter M A |
 |
American Mineralogist 86 (2001) 66-79 |
|
Structural properties of ferromagnesian cordierites |
|
Sample: 111249, Cerro del Hoyazo, Spain, T = 900 C, t = 24 h |
|
_database_code_amcsd 0002618 |
|
17.172 9.7660 9.3142 90 90 90 Cccm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM .33741 0 .25 .494 .00707 .00608 .00663 .00851 0 0 .00006 |
|
FeM .33741 0 .25 .506 .00707 .00608 .00663 .00851 0 0 .00006 |
|
AlT11 .25 .25 .25008 .991 .00612 .00773 .00588 .00475 .00122 0 0 |
|
FeT11 .25 .25 .25008 .009 .00612 .00773 .00588 .00475 .00122 0 0 |
|
SiT16 0 .5 .25 .00525 .00537 .00642 .00397 0 0 0 |
|
SiT21 .19126 .07847 0 .00474 .00598 .00378 .00447 .00017 0 0 |
|
SiT23 .13492 -.23598 0 .00466 .00480 .00474 .00445 -.00079 0 0 |
|
AlT26 .05011 .30707 0 .00461 .00390 .00583 .00411 .00069 0 0 |
|
O11 .24562 -.10360 .35846 .00835 .01087 .00784 .00635 -.00043 .00291 -.00139 |
|
O16 .06161 -.41513 .34874 .00846 .00806 .00975 .00757 -.00124 -.00017 -.00298 |
|
O13 -.17332 -.30819 .35802 .00826 .00919 .00940 .00619 .00139 -.00217 -.00218 |
|
O26 .04360 -.24862 0 .01233 .00587 .01590 .01521 -.00263 0 0 |
|
O21 .12127 .18444 0 .01236 .01118 .01014 .01577 .00532 0 0 |
|
O23 .16337 -.07837 0 .01219 .01552 .00576 .01530 -.00341 0 0 |
|
NaCh2 0 0 0 .037 .055 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluorbritholite-(Ce) |
| |
Oberti R, Ottolini L, Della Ventura G, Parodi G C |
 |
American Mineralogist 86 (2001) 1066-1075 |
|
On the symmetry and crystal chemistry of britholite: |
|
New structural and microanalytical data |
|
Sample: CAPR in volcanic ejectum from Capranica, Latium, Italy |
|
_database_code_amcsd 0002669 |
|
9.547 9.547 6.991 90 90 120 P6_3 |
|
atom x y z occ Biso |
|
Si1 .3990 .3718 .2513 .93 .68 |
|
B1 .3990 .3718 .2513 .03 .68 |
|
P1 .3990 .3718 .2513 .04 .68 |
|
Ca1 1/3 2/3 -.0048 .49 .85 |
|
Y1 1/3 2/3 -.0048 .02 .85 |
|
La1 1/3 2/3 -.0048 .11 .85 |
|
Ce1 1/3 2/3 -.0048 .21 .85 |
|
Pr1 1/3 2/3 -.0048 .02 .85 |
|
Nd1 1/3 2/3 -.0048 .06 .85 |
|
Sm1 1/3 2/3 -.0048 .01 .85 |
|
Th1 1/3 2/3 -.0048 .07 .85 |
|
U1 1/3 2/3 -.0048 .01 .85 |
|
Ca1a 2/3 1/3 .0001 .49 .82 |
|
Y1a 2/3 1/3 .0001 .02 .82 |
|
La1a 2/3 1/3 .0001 .11 .82 |
|
Ce1a 2/3 1/3 .0001 .21 .82 |
|
Pr1a 2/3 1/3 .0001 .02 .82 |
|
Nd1a 2/3 1/3 .0001 .06 .82 |
|
Sm1a 2/3 1/3 .0001 .01 .82 |
|
Th1a 2/3 1/3 .0001 .07 .82 |
|
U1a 2/3 1/3 .0001 .01 .82 |
|
Ca2 .2378 -.0116 .25 .49 .87 |
|
Y2 .2378 -.0116 .25 .02 .87 |
|
La2 .2378 -.0116 .25 .11 .87 |
|
Ce2 .2378 -.0116 .25 .21 .87 |
|
Pr2 .2378 -.0116 .25 .02 .87 |
|
Nd2 .2378 -.0116 .25 .06 .87 |
|
Sm2 .2378 -.0116 .25 .01 .87 |
|
Th2 .2378 -.0116 .25 .07 .87 |
|
U2 .2378 -.0116 .25 .01 .87 |
|
O1 .3229 .4886 .2532 1.45 |
|
O2 .5940 .4695 .2569 1.78 |
|
O3 .3168 .2431 .4218 2.11 |
|
O3a .3580 .2604 .0595 1.35 |
|
OH4 0 0 .2359 .12 5.38 |
|
F4 0 0 .2359 .88 5.38 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluorbritholite-(Ce) |
| |
Oberti R, Ottolini L, Della Ventura G, Parodi G C |
 |
American Mineralogist 86 (2001) 1066-1075 |
|
On the symmetry and crystal chemistry of britholite: |
|
New structural and microanalytical data |
|
Sample: LOS from Rouma Island, Guinea |
|
_database_code_amcsd 0002670 |
|
9.682 9.682 7.066 90 90 120 P6_3 |
|
atom x y z occ Biso |
|
Si1 .4007 .3728 .2564 .85 .68 |
|
P1 .4007 .3728 .2564 .13 .68 |
|
Na1 1/3 2/3 -.0039 .25 .85 |
|
Ca1 1/3 2/3 -.0039 .17 .85 |
|
La1 1/3 2/3 -.0039 .24 .85 |
|
Ce1 1/3 2/3 -.0039 .28 .85 |
|
Pr1 1/3 2/3 -.0039 .02 .85 |
|
Nd1 1/3 2/3 -.0039 .04 .85 |
|
Na1a 2/3 1/3 .0060 .25 .82 |
|
Ca1a 2/3 1/3 .0060 .17 .82 |
|
La1a 2/3 1/3 .0060 .24 .82 |
|
Ce1a 2/3 1/3 .0060 .28 .82 |
|
Pr1a 2/3 1/3 .0060 .02 .82 |
|
Nd1a 2/3 1/3 .0060 .04 .82 |
|
Ca2 .2364 -.0133 .25 .23 .87 |
|
La2 .2364 -.0133 .25 .33 .87 |
|
Ce2 .2364 -.0133 .25 .37 .87 |
|
Pr2 .2364 -.0133 .25 .02 .87 |
|
Nd2 .2364 -.0133 .25 .05 .87 |
|
O1 .3246 .4868 .2589 1.45 |
|
O2 .5929 .4693 .2539 1.78 |
|
O3 .3120 .2445 .4174 2.11 |
|
O3a .3650 .2650 .0633 1.35 |
|
OH4 0 0 .1771 .12 5.38 |
|
F4 0 0 .2359 .88 5.38 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Mottanaite-(Ce) |
| |
Della Ventura G, Bonazzi P, Oberti R, Ottolini L |
 |
American Mineralogist 87 (2002) 739-744 |
|
Ciprianiite and mottanaite-(Ce), two new minerals |
|
of the hellandite group from Latium (Italy) |
|
_database_code_amcsd 0002818 |
|
19.032 4.746 10.248 90 110.97 90 P2/a |
|
atom x y z occ Biso |
|
B1 .1732 .5316 .4513 .56 |
|
B2 .2542 .4670 .1331 .44 |
|
Si1 .1039 .4834 .6508 .50 |
|
Si2 .1126 .4992 .1612 .55 |
|
BeT .0393 .5424 .8668 .590 .92 |
|
LiT .0393 .5424 .8668 .013 .92 |
|
AlM1 0 0 0 .497 .74 |
|
FeM1 0 0 0 .384 .74 |
|
TiM1 0 0 0 .070 .74 |
|
MgM1 0 0 0 .035 .74 |
|
CaM2 .0424 .0149 .3612 .186 .56 |
|
LaM2 .0424 .0149 .3612 .228 .56 |
|
CeM2 .0424 .0149 .3612 .386 .56 |
|
YM2 .0424 .0149 .3612 .003 .56 |
|
PrM2 .0424 .0149 .3612 .034 .56 |
|
NdM2 .0424 .0149 .3612 .071 .56 |
|
SmM2 .0424 .0149 .3612 .004 .56 |
|
EuM2 .0424 .0149 .3612 .001 .56 |
|
GdM2 .0424 .0149 .3612 .003 .56 |
|
ThM2 .0424 .0149 .3612 .076 .56 |
|
UM2 .0424 .0149 .3612 .008 .56 |
|
CaM3 .2471 .0032 .6614 .72 |
|
CaM4 .1570 -.0285 .9314 .85 |
|
O1 .0443 .2410 .5674 .73 |
|
O2 .1778 .3191 .7546 .70 |
|
O3 .0697 -.3100 .7410 1.52 |
|
O4 .1320 -.3296 .5416 .75 |
|
F5 .0367 .1967 .8716 .245 1.12 |
|
OH5 .0367 .1967 .8716 .272 1.12 |
|
O6 .2466 -.2416 .8582 .97 |
|
O7 .1666 .2332 .4443 .59 |
|
O8 .1324 .6756 .3071 1.05 |
|
O9 .1861 .3259 .1584 .85 |
|
O10 .0852 .7237 .0369 1.55 |
|
O11 .0506 .2608 .1566 1.69 |
|
O12 .25 .3369 0 .59 |
|
O13 .25 .6495 .5 .62 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ciprianiite |
| |
Della Ventura G, Bonazzi P, Oberti R, Ottolini L |
 |
American Mineralogist 87 (2002) 739-744 |
|
Ciprianiite and mottanaite-(Ce), two new minerals |
|
of the hellandite group from Latium (Italy) |
|
_database_code_amcsd 0002819 |
|
19.059 4.729 10.291 90 111.33 90 P2/a |
|
atom x y z occ Biso |
|
B1 .1733 .5268 .4515 .75 |
|
B2 .2529 .4618 .1329 .71 |
|
Si1 .1039 .4849 .6501 .64 |
|
Si2 .1127 .4975 .1616 .71 |
|
BeT .038 .535 .869 .409 1.41 |
|
LiT .038 .535 .869 .019 1.41 |
|
AlM1 0 0 0 .479 .73 |
|
FeM1 0 0 0 .377 .73 |
|
TiM1 0 0 0 .097 .73 |
|
MgM1 0 0 0 .047 .73 |
|
MnM1 0 0 0 .016 .73 |
|
CaM2 .0429 .0175 .3598 .302 .66 |
|
LaM2 .0429 .0175 .3598 .045 .66 |
|
CeM2 .0429 .0175 .3598 .176 .66 |
|
YM2 .0429 .0175 .3598 .008 .66 |
|
PrM2 .0429 .0175 .3598 .027 .66 |
|
NdM2 .0429 .0175 .3598 .095 .66 |
|
SmM2 .0429 .0175 .3598 .010 .66 |
|
EuM2 .0429 .0175 .3598 .001 .66 |
|
GdM2 .0429 .0175 .3598 .004 .66 |
|
DyM2 .0429 .0175 .3598 .001 .66 |
|
ThM2 .0429 .0175 .3598 .314 .66 |
|
UM2 .0429 .0175 .3598 .017 .66 |
|
CaM3 .2476 .0017 .6611 .88 |
|
CaM4 .1564 .9652 .9312 .85 |
|
H .04 .42 .90 .272 1.6 |
|
O1 .0444 .2441 .5673 .85 |
|
O2 .1786 .3179 .7584 .87 |
|
O3 .0715 .6991 .7351 1.32 |
|
O4 .1331 .6672 .5411 .94 |
|
F5 .0370 .1935 .8700 .245 1.13 |
|
Oh5 .0370 .1935 .8700 .272 1.13 |
|
O6 .2471 .7583 .8585 .82 |
|
O7 .1680 .2285 .4464 .80 |
|
O8 .1330 .6707 .3090 1.02 |
|
O9 .1864 .3260 .1581 .97 |
|
O10 .0847 .7297 .0395 1.31 |
|
O11 .0520 .2556 .1558 1.30 |
|
O12 .25 .3353 0 .91 |
|
O13 .25 .6481 .5 .84 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ferripedrizite |
| |
Caballero J M, Oberti R, Ottolini L |
 |
American Mineralogist 87 (2002) 976-982 |
|
Ferripedrizite, a new monoclinic Li amphibole end-member from the |
|
Eastern Pedriza Massif, Sierra de Guadarrama, Spain, and a restatement |
|
of the nomenclature of Mg-Fe-Mn-Li amphiboles |
|
_database_code_amcsd 0002869 |
|
9.499 17.864 5.296 90 102.15 90 C2/m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
O1 .1121 .0911 .2045 .61 .0014 .0005 .0064 -.0001 .0006 0 |
|
O2 .1217 .1736 .7311 .68 .0016 .0007 .0059 .0001 .0007 .0001 |
|
O3 .1145 0 .7011 .65 .94 .0024 .0007 .0096 0 .0002 0 |
|
F3 .1145 0 .7011 .35 .94 .0024 .0007 .0096 0 .0002 0 |
|
O4 .3747 .2503 .7826 .84 .0028 .0005 .0077 -.0004 .0004 .0001 |
|
O5 .3545 .1295 .0639 .82 .0017 .0010 .0064 0 .0008 .0009 |
|
O6 .3467 .1205 .5626 .90 .0020 .0011 .0057 .0001 .0003 -.0010 |
|
O7 .3395 0 .2803 .90 .0024 .0004 .0125 0 .0008 0 |
|
SiT1 .2856 .0864 .2779 .44 .0013 .0003 .0040 0 .0003 -.0001 |
|
SiT2 .2967 .1713 .7867 .46 .0014 .0004 .0040 -.0001 .0003 0 |
|
MgM1 0 .0878 1/2 .74 .62 .0020 .0005 .0051 0 .0011 0 |
|
FeM1 0 .0878 1/2 .26 .62 .0020 .0005 .0051 0 .0011 0 |
|
FeM2 0 .1810 0 .85 .53 .0014 .0004 .0048 0 .0004 0 |
|
AlM2 0 .1810 0 .10 .53 .0014 .0004 .0048 0 .0004 0 |
|
TiM2 0 .1810 0 .04 .53 .0014 .0004 .0048 0 .0004 0 |
|
ZnM2 0 .1810 0 .01 .53 .0014 .0004 .0048 0 .0004 0 |
|
LiM3 0 0 0 .64 .69 .0023 .0004 .0063 0 .0003 0 |
|
FeM3 0 0 0 .29 .69 .0023 .0004 .0063 0 .0003 0 |
|
MnM3 0 0 0 .07 .69 .0023 .0004 .0063 0 .0003 0 |
|
NaM4 0 .2636 1/2 .12 1.93 .0033 .0031 .0072 0 .0026 0 |
|
CaM4 0 .2636 1/2 .02 1.93 .0033 .0031 .0072 0 .0026 0 |
|
LiM4' 0 .2454 1/2 .85 1.05 |
|
NaAm .0720 1/2 .1453 .26 2.68 .0114 .0120 .0325 0 .0149 0 |
|
KAm .0720 1/2 .1453 .02 2.68 .0114 .0120 .0325 0 .0149 0 |
|
H .1877 0 .7657 .65 .91 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Dravite |
 |
Camara F, Ottolini L, Hawthorne F C |
 |
American Mineralogist 87 (2000) 1437-1442 |
|
Crystal chemistry of three tourmalines by SREF, EMPA and SIMS |
|
Sample: Crystal 1 |
|
Locality: Madagascar |
|
_database_code_amcsd 0002913 |
|
16.017 16.017 7.256 90 90 120 R3m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaX 0 0 .8489 .49 .017 .017 .019 .008 0 0 |
|
CaX 0 0 .8489 .48 .017 .017 .019 .008 0 0 |
|
KX 0 0 .8489 .01 .017 .017 .019 .008 0 0 |
|
MgY .0616 .9384 .4367 .45 .007 .007 .011 .002 .002 -.002 |
|
Fe2Y .0616 .9384 .4367 .31 .007 .007 .011 .002 .002 -.002 |
|
Fe3Y .0616 .9384 .4367 .16 .007 .007 .011 .002 .002 -.002 |
|
TiY .0616 .9384 .4367 .07 .007 .007 .011 .002 .002 -.002 |
|
AlZ .2619 .2983 .4611 .76 .006 .006 .006 .003 -.001 .000 |
|
FeZ .2619 .2983 .4611 .10 .006 .006 .006 .003 -.001 .000 |
|
MgZ .2619 .2983 .4611 .14 .006 .006 .006 .003 -.001 .000 |
|
SiT .1898 .1915 .0732 .005 .005 .006 .002 .001 .000 |
|
B .8898 .1102 .6201 .006 .006 .009 .003 .001 -.001 |
|
O1 0 0 .2946 .64 .017 .017 .015 .009 0 0 |
|
OH1 0 0 .2946 .18 .017 .017 .015 .009 0 0 |
|
F1 0 0 .2946 .18 .017 .017 .015 .009 0 0 |
|
O2 .9393 .0607 .5955 .011 .011 .013 .008 .001 -.001 |
|
OH3 .1331 .8669 .5611 .014 .014 .007 .005 -.001 .001 |
|
O4 .9078 .0922 .0019 .008 .008 .011 .000 -.001 .001 |
|
O5 .0909 .9091 .9830 .008 .008 .010 .000 -.001 .001 |
|
O6 .1866 .1954 .2935 .009 .011 .007 .005 .001 .000 |
|
O7 .2837 .2842 .9933 .007 .008 .011 .001 .001 .002 |
|
O8 .2698 .2090 .6313 .010 .006 .017 .004 -.003 -.001 |
|
H3 .1329 .8671 .6780 .017 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Schorl |
 |
Camara F, Ottolini L, Hawthorne F C |
 |
American Mineralogist 87 (2000) 1437-1442 |
|
Crystal chemistry of three tourmalines by SREF, EMPA and SIMS |
|
Sample: Crystal 2 |
|
Locality: Alto Lighona pegmatite field, Zambezia, Mozambique |
|
_database_code_amcsd 0002914 |
|
15.983 15.983 7.152 90 90 120 R3m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaX 0 0 .8186 .64 .024 .024 .024 .012 0 0 |
|
CaX 0 0 .8186 .03 .024 .024 .024 .012 0 0 |
|
KX 0 0 .8186 .01 .024 .024 .024 .012 0 0 |
|
Fe2Y .0617 .9383 .4102 .57 .007 .007 .012 .002 .002 -.002 |
|
AlY .0617 .9383 .4102 .29 .007 .007 .012 .002 .002 -.002 |
|
TiY .0617 .9383 .4102 .02 .007 .007 .012 .002 .002 -.002 |
|
MnY .0617 .9383 .4102 .06 .007 .007 .012 .002 .002 -.002 |
|
ZnY .0617 .9383 .4102 .01 .007 .007 .012 .002 .002 -.002 |
|
LiY .0617 .9383 .4102 .11 .007 .007 .012 .002 .002 -.002 |
|
AlZ .2615 .2983 .4291 .94 .006 .006 .006 .003 -.001 .000 |
|
FeZ .2615 .2983 .4291 .05 .006 .006 .006 .003 -.001 .000 |
|
MgZ .2615 .2983 .4291 .01 .006 .006 .006 .003 -.001 .000 |
|
Si .1900 .1919 .0393 .96 .005 .005 .006 .003 .000 .000 |
|
Al .1900 .1919 .0393 .04 .005 .005 .006 .003 .000 .000 |
|
B .8898 .1102 .5853 .007 .007 .008 .003 .000 .000 |
|
OH1 0 0 .2563 .85 .048 .048 .014 .024 0 0 |
|
F1 0 0 .2563 .15 .048 .048 .014 .024 0 0 |
|
O2 .9384 .0616 .5560 .021 .021 .012 .018 .000 .000 |
|
OH3 .1344 .8657 .5300 .012 .012 .007 .002 .000 .000 |
|
O4 .9066 .0934 .9704 .008 .008 .009 .001 -.001 .001 |
|
O5 .0935 .9065 .9482 .008 .008 .009 .000 .000 .000 |
|
O6 .1877 .1978 .2642 .010 .009 .006 .004 .000 .000 |
|
O7 .2859 .2854 .9602 .006 .007 .008 .002 .001 .001 |
|
O8 .2708 .2099 .5990 .010 .006 .011 .004 -.002 -.001 |
|
H3 .1319 .8681 .6610 .023 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-dravite |
| |
Camara F, Ottolini L, Hawthorne F C |
 |
American Mineralogist 87 (2000) 1437-1442 |
|
Crystal chemistry of three tourmalines by SREF, EMPA and SIMS |
|
Sample: Crystal 3 |
|
Locality: a pegmatite at Minas Gerais, Brazil |
|
_database_code_amcsd 0002915 |
|
15.921 15.921 7.137 90 90 120 R3m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaX 0 0 .8189 .81 .025 .025 .016 .012 0 0 |
|
CaX 0 0 .8189 .01 .025 .025 .016 .012 0 0 |
|
KX 0 0 .8189 .01 .025 .025 .016 .012 0 0 |
|
Fe2Y .0622 .9378 .4242 .30 .006 .006 .008 .002 .001 -.001 |
|
MgY .0622 .9378 .4242 .20 .006 .006 .008 .002 .001 -.001 |
|
AlY .0622 .9378 .4242 .26 .006 .006 .008 .002 .001 -.001 |
|
LiY .0622 .9378 .4242 .22 .006 .006 .008 .002 .001 -.001 |
|
TiY .0622 .9378 .4242 .02 .006 .006 .008 .002 .001 -.001 |
|
AlZ .2611 .2978 .4414 .006 .006 .004 .003 -.001 .000 |
|
SiT .1899 .1919 .0529 .96 .004 .004 .004 .002 .000 .000 |
|
B .8902 .1098 .5977 .006 .006 .007 .003 .000 .000 |
|
O1 0 0 .2714 .03 .062 .062 .010 .031 0 0 |
|
OH1 0 0 .2714 .42 .062 .062 .010 .031 0 0 |
|
F1 0 0 .2714 .55 .062 .062 .010 .031 0 0 |
|
O2 .9389 .0611 .5687 .022 .022 .010 .020 .000 .000 |
|
OH3 .1343 .8657 .5432 .010 .010 .006 .001 .000 .000 |
|
O4 .9068 .0932 .9822 .007 .007 .007 .000 .000 .000 |
|
O5 .0932 .9068 .9603 .007 .007 .007 .000 .000 .000 |
|
O6 .1870 .1971 .2768 .009 .007 .004 .003 .000 .000 |
|
O7 .2857 .2855 .9727 .006 .005 .006 .001 .001 .000 |
|
O8 .2706 .2099 .6115 .010 .005 .008 .004 -.003 -.001 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Okanoganite-(Y) |
 |
Boiocchi M, Callegari A, Ottolini L, Maras A |
 |
American Mineralogist 89 (2004) 1540-1545 |
|
The chemistry and crystal structure of okanoganite-(Y) and |
|
comparison with vicanite-(Ce) |
|
Sample: Golden Horn batholith near Washington Pass, Okanogan County |
|
_database_code_amcsd 0003650 |
|
10.7108 10.7108 27.0398 90 90 120 R3m |
|
atom x y z occ Uiso |
|
Ce1 -.1304 .1304 -.3183 .72 .0102 |
|
Y1 -.1304 .1304 -.3183 .28 .0102 |
|
Ce2 -.1362 .1362 .1005 .75 .0124 |
|
Y2 -.1362 .1362 .1005 .25 .0124 |
|
Ca3 .1157 -.1157 -.0988 .59 .0184 |
|
Y3 .1157 -.1157 -.0988 .41 .0184 |
|
Y4 .1214 -.1214 .4681 .71 .0124 |
|
Ca4 .1214 -.1214 .4681 .29 .0124 |
|
Y5 .1379 -.1379 .2201 .87 .0112 |
|
Th5 .1379 -.1379 .2201 .13 .0112 |
|
Fe 0 0 0 .77 .0152 |
|
Ti 0 0 0 .23 .0152 |
|
Si1 .1694 -.1694 .0442 .0131 |
|
Si2 -.1707 .1707 -.0402 .0106 |
|
B1 -.0791 .0791 .2921 .0208 |
|
P3 0 0 -.2123 .6 .0151 |
|
Si3 0 0 -.2123 .4 .0151 |
|
Na 0 0 -.4242 .0267 |
|
O1 .0816 -.0816 .0469 .0169 |
|
O2 .1867 -.1867 -.0141 .0172 |
|
O3 .3257 -.0667 .0708 .0152 |
|
O4 -.0835 .0835 -.0495 .0171 |
|
O5 -.1909 .1909 .0188 .0143 |
|
O6 -.3312 .0791 -.0626 .0229 |
|
O7 .0770 -.0770 .3062 .0138 |
|
O8 -.0957 .0957 .2388 .0125 |
|
OH9 .0832 -.0832 .1453 .0202 |
|
O10 0 0 -.1518 .0254 |
|
O11 .1550 .0470 -.2330 .5 .0314 |
|
F12 -.0897 .0897 -.4885 .0208 |
|
F13 0 0 -.3390 .0199 |
|
F14 .0162 .3055 -.1607 .0280 |
|
OH 0 0 .4360 .0188 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Dellaventuraite |
| |
Tait K T, Hawthorne F C, Grice J D, Ottolini L, Nayak V K |
 |
American Mineralogist 90 (2005) 304-309 |
|
Dellaventuraite, NaNa2(MgMn2TiLi)Si8O22O2, a new anhydrous amphibole from |
|
the Kajlidongri Manganese Mine, Jhabua District, Madhya Pradesh, India |
|
_database_code_amcsd 0003735 |
|
9.808 17.840 5.2848 90 104.653 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 0 .08163 .5 .39 .0100 .0087 .0167 .0057 0 .0041 0 |
|
Mn3+1 0 .08163 .5 .31 .0100 .0087 .0167 .0057 0 .0041 0 |
|
Ti4+1 0 .08163 .5 .30 .0100 .0087 .0167 .0057 0 .0041 0 |
|
Mg2 0 .17930 0 .50 .0070 .0084 .0073 .0062 0 .0032 0 |
|
Fe3+2 0 .17930 0 .36 .0070 .0084 .0073 .0062 0 .0032 0 |
|
Mn2+2 0 .17930 0 .09 .0070 .0084 .0073 .0062 0 .0032 0 |
|
Al2 0 .17930 0 .05 .0070 .0084 .0073 .0062 0 .0032 0 |
|
Li3 0 .17930 0 .90 .0070 .0084 .0073 .0062 0 .0032 0 |
|
Mg3 0 0 0 .07 .023 .027 .014 .024 0 -.003 0 |
|
Mn3+3 0 0 0 .03 .023 .027 .014 .024 0 -.003 0 |
|
Na4 0 .27565 .5 .86 .0160 .0202 .0137 .0197 0 .0154 0 |
|
Ca4 0 .27565 .5 .14 .0160 .0202 .0137 .0197 0 .0154 0 |
|
Si1 .27918 .08596 .2951 .0080 .0092 .0092 .0060 .0006 .0027 -.0001 |
|
Si2 .28818 .17064 .8011 .0071 .0086 .0067 .0064 -.0005 .0025 -.0001 |
|
O1 .1108 .0890 .2176 .0107 .010 .013 .009 -.0025 .0027 -.0006 |
|
O2 .1172 .1662 .7229 .0115 .0084 .016 .0109 .0005 .0045 .0001 |
|
O3 .1087 0 .6925 .0127 .011 .013 .014 0 .002 0 |
|
O4 .3596 .2500 .8029 .0125 .016 .0105 .014 -.0029 .0080 -.0022 |
|
O5 .3476 .1279 .0849 .0115 .0093 .0155 .0104 .0012 .0042 .0024 |
|
O6 .3461 .1190 .5862 .0115 .0126 .0144 .0079 .0027 .0032 -.0009 |
|
O7 .3364 0 .3005 .0124 .010 .009 .017 0 .002 0 |
|
NaAm .017 .5 .039 .60 .018 |
|
KAm' .051 .5 .104 .40 .018 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluoro-sodic-pedrizite |
| |
Oberti R, Camara F, Ottolini L |
 |
American Mineralogist 90 (2005) 732-736 |
|
Clinoholmquistite discredited: The new amphibole end-member fluoro-sodic-pedrizite |
|
sample from Tastyg spodumene deposit, Tuva, Siberia, Russia |
|
_database_code_amcsd 0003770 |
|
9.368 17.616 5.271 90 102.38 90 C2/m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
NaA 0 .5 0 .144 3.2 .0149 .0009 .0455 0 .0219 0 |
|
KA 0 .5 0 .002 3.2 .0149 .0009 .0455 0 .0219 0 |
|
NaAm .0673 .5 .1369 .248 2.8 .0117 .0016 .0298 0 .0129 0 |
|
KAm .0673 .5 .1369 .004 2.8 .0117 .0016 .0298 0 .0129 0 |
|
Mg1 0 .0890 .5 .845 .64 .0023 .0005 .0059 0 .0015 0 |
|
Fe1 0 .0890 .5 .155 .64 .0023 .0005 .0059 0 .0015 0 |
|
Al2 0 .1787 0 .990 .59 .0016 .0005 .0060 0 .0006 0 |
|
Cr2 0 .1787 0 .005 .59 .0016 .0005 .0060 0 .0006 0 |
|
Zn2 0 .1787 0 .005 .59 .0016 .0005 .0060 0 .0006 0 |
|
Li3 0 0 0 .64 .51 .0022 .0002 .0051 0 .0006 0 |
|
Fe3 0 0 0 .21 .51 .0022 .0002 .0051 0 .0006 0 |
|
Mg3 0 0 0 .13 .51 .0022 .0002 .0051 0 .0006 0 |
|
Mn3 0 0 0 .02 .51 .0022 .0002 .0051 0 .0006 0 |
|
Li4 0 .2587 .5 .965 1.6 .0033 .0024 .0093 0 .0026 0 |
|
Ca4 0 .2587 .5 .020 1.6 .0033 .0024 .0093 0 .0026 0 |
|
Na4 0 .2587 .5 .015 1.6 .0033 .0024 .0093 0 .0026 0 |
|
Si1 .2855 .0879 .2803 .99 .51 .0017 .0003 .0053 .0000 .0008 .0000 |
|
Al1 .2855 .0879 .2803 .01 .51 .0017 .0003 .0053 .0000 .0008 .0000 |
|
Si2 .2971 .1740 .7929 .53 .0017 .0004 .0050 -.0001 .0007 .0000 |
|
O1 .1091 .0933 .2003 .60 .0015 .0005 .0069 .0000 .0008 -.0001 |
|
O2 .1190 .1740 .7402 .67 .0016 .0006 .0074 .0000 .0008 .0000 |
|
OH3 .1161 0 .6938 .55 1.02 .0032 .0007 .0099 0 .0004 0 |
|
F3 .1161 0 .6938 .45 1.02 .0032 .0007 .0099 0 .0004 0 |
|
O4 .3759 .2539 .7915 .84 .0028 .0005 .0087 -.0004 .0007 .0001 |
|
O5 .3583 .1300 .0677 .98 .0020 .0011 .0087 .0000 .0010 .0013 |
|
O6 .3472 .1235 .5650 1.05 .0022 .0012 .0090 .0001 .0006 -.0013 |
|
O7 .3391 0 .2881 1.00 .0029 .0003 .0150 0 .0010 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Tremolite |
 |
Oberti R, Camara F, Ottolini L |
 |
American Mineralogist 90 (2005) 732-736 |
|
Clinoholmquistite discredited: The new amphibole end-member fluoro-sodic-pedrizite |
|
sample from Tastyg spodumene deposit, Tuva, Siberia, Russia |
|
_database_code_amcsd 0003771 |
|
9.848 18.049 5.279 90 104.73 90 C2/m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
NaA2 0 .483 0 .031 2.0 .0088 .0016 .0280 0 .0119 0 |
|
KA2 0 .483 0 .019 2.0 .0088 .0016 .0280 0 .0119 0 |
|
NaAm .040 .5 .093 .049 .8 .0002 .0013 .0073 0 .0010 0 |
|
KAm .040 .5 .093 .031 .8 .0002 .0013 .0073 0 .0010 0 |
|
Mg1 0 .0880 .5 .98 .56 .0015 .0004 .0061 0 .0008 0 |
|
Fe1 0 .0880 .5 .04 .56 .0015 .0004 .0061 0 .0008 0 |
|
Mg2 0 .1770 0 .975 .53 .0014 .0004 .0058 0 .0008 0 |
|
Fe2 0 .1770 0 .010 .53 .0014 .0004 .0058 0 .0008 0 |
|
Mn2 0 .1770 0 .005 .53 .0014 .0004 .0058 0 .0008 0 |
|
Ti2 0 .1770 0 .005 .53 .0014 .0004 .0058 0 .0008 0 |
|
Zn2 0 .1770 0 .005 .53 .0014 .0004 .0058 0 .0008 0 |
|
Mg3 0 0 0 .84 .59 .0016 .0004 .0059 0 .0005 0 |
|
Al3 0 0 0 .08 .59 .0016 .0004 .0059 0 .0005 0 |
|
Fe3 0 0 0 .08 .59 .0016 .0004 .0059 0 .0005 0 |
|
Ca4 0 .2778 .5 .925 .79 .0024 .0005 .0097 0 .0028 0 |
|
Na4 0 .2778 .5 .075 .79 .0024 .0005 .0097 0 .0028 0 |
|
Si1 .2802 .0842 .2974 .991 .44 .0011 .0003 .0052 -.0001 .0005 -.0001 |
|
Al1 .2802 .0842 .2974 .008 .44 .0011 .0003 .0052 -.0001 .0005 -.0001 |
|
B1 .2802 .0842 .2974 .001 .44 .0011 .0003 .0052 -.0001 .0005 -.0001 |
|
Si2 .2881 .1712 .8047 .991 .45 .0011 .0003 .0050 -.0001 .0006 .0000 |
|
Al2 .2881 .1712 .8047 .008 .45 .0011 .0003 .0050 -.0001 .0006 .0000 |
|
B2 .2881 .1712 .8047 .001 .45 .0011 .0003 .0050 -.0001 .0006 .0000 |
|
O1 .1117 .0859 .2179 .55 .0013 .0004 .0059 .0000 .0003 .0000 |
|
O2 .1186 .1709 .7250 .59 .0012 .0005 .0063 -.0001 .0004 -.0002 |
|
O3 .1087 0 .7155 .835 .76 .0020 .0006 .0078 0 .0010 0 |
|
F .1087 0 .7155 .165 .76 .0020 .0006 .0078 0 .0010 0 |
|
O4 .3647 .2480 .7928 .76 .0023 .0004 .0085 -.0004 .0012 -.0001 |
|
O5 .3465 .1340 .0996 .74 .0019 .0006 .0069 .0000 .0008 .0007 |
|
O6 .3437 .1184 .5902 .68 .0016 .0006 .0060 .0000 .0008 -.0005 |
|
O7 .3374 0 .2921 .79 .0021 .0004 .0105 0 .0008 0 |
|
H .190 0 .759 .835 .2 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Phlogopite |
 |
Mesto E, Schingaro E, Scordari F, Ottolini L |
 |
American Mineralogist 91 (2006) 182-190 |
|
An electron microprobe analysis, secondary ion mass spectrometry and single |
|
crystal X-ray diffraction study of phlogopites from Mt. Vulture, Potenza, Italy: |
|
Consideration of cation partioning |
|
Locality: Mt. Vulture, Potenza, Italy |
|
Sample: LC7-1R |
|
Note: mica |
|
_database_code_amcsd 0004002 |
|
5.310 9.193 10.096 90 100.00 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 0 0 .78 .028 .027 .024 .032 0 .004 0 |
|
Na 0 0 0 .12 .028 .027 .024 .032 0 .004 0 |
|
Ba 0 0 0 .05 .028 .027 .024 .032 0 .004 0 |
|
MgM1 0 .5 .5 .75 .010 .011 .006 .019 0 .005 0 |
|
Fe3+M1 0 .5 .5 .17 .010 .011 .006 .019 0 .005 0 |
|
Fe2+M1 0 .5 .5 .06 .010 .011 .006 .019 0 .005 0 |
|
LiM1 0 .5 .5 .02 .010 .011 .006 .019 0 .005 0 |
|
MgM2 0 .8431 .5 .45 .010 .008 .012 .012 0 -.0001 0 |
|
Fe2+M2 0 .8431 .5 .21 .010 .008 .012 .012 0 -.0001 0 |
|
Fe3+M2 0 .8431 .5 .115 .010 .008 .012 .012 0 -.0001 0 |
|
Ti4+M2 0 .8431 .5 .10 .010 .008 .012 .012 0 -.0001 0 |
|
Ti3+M2 0 .8431 .5 .025 .010 .008 .012 .012 0 -.0001 0 |
|
SiT .5735 .1674 .2230 .64 .013 .012 .011 .015 -.000 .0027 -.001 |
|
AlT .5735 .1674 .2230 .345 .013 .012 .011 .015 -.000 .0027 -.001 |
|
Ti4+T .5735 .1674 .2230 .015 .013 .012 .011 .015 -.000 .0027 -.001 |
|
O1 .824 .2292 .1643 .024 .024 .023 .025 -.003 .004 -.003 |
|
O2 .515 0 .1666 .022 .025 .018 .023 0 -.001 0 |
|
O3 .6285 .1688 .3901 .014 .012 .011 .019 -.001 .002 -.001 |
|
OH4 .135 0 .4007 .55 .010 .014 .016 .005 0 .001 0 |
|
F4 .135 0 .4007 .415 .010 .014 .016 .005 0 .001 0 |
|
O4 .135 0 .4007 .02 .010 .014 .016 .005 0 .001 0 |
|
Cl4 .135 0 .4007 .01 .010 .014 .016 .005 0 .001 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Phlogopite |
 |
Mesto E, Schingaro E, Scordari F, Ottolini L |
 |
American Mineralogist 91 (2006) 182-190 |
|
An electron microprobe analysis, secondary ion mass spectrometry and single |
|
crystal X-ray diffraction study of phlogopites from Mt. Vulture, Potenza, Italy: |
|
Consideration of cation partioning |
|
Locality: Mt. Vulture, Potenza, Italy |
|
Sample: LC7-3Go |
|
Note: mica |
|
_database_code_amcsd 0004003 |
|
5.315 9.209 10.226 90 99.97 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
K 0 0 0 .85 .032 .038 .035 .024 0 .004 0 |
|
Na 0 0 0 .11 .032 .038 .035 .024 0 .004 0 |
|
Ba 0 0 0 .02 .032 .038 .035 .024 0 .004 0 |
|
MgM1 0 .5 .5 .76 .012 .013 .011 .014 0 .003 0 |
|
Fe2+M1 0 .5 .5 .16 .012 .013 .011 .014 0 .003 0 |
|
Ti4+M1 0 .5 .5 .08 .012 .013 .011 .014 0 .003 0 |
|
MgM2 0 .8338 .5 .71 .011 .009 .010 .013 0 .0021 0 |
|
Fe2+M2 0 .8338 .5 .185 .011 .009 .010 .013 0 .0021 0 |
|
AlM2 0 .8338 .5 .065 .011 .009 .010 .013 0 .0021 0 |
|
TiM2 0 .8338 .5 .04 .011 .009 .010 .013 0 .0021 0 |
|
SiT .5754 .1669 .2267 .665 .0088 .0080 .0092 .0092 .000 .0011 -.000 |
|
AlT .5754 .1669 .2267 .335 .0088 .0080 .0092 .0092 .000 .0011 -.000 |
|
O1 .8318 .2238 .1699 .016 .016 .022 .012 -.002 .003 -.003 |
|
O2 .505 0 .1701 .016 .028 .012 .013 0 -.004 0 |
|
O3 .6311 .1668 .3923 .010 .008 .010 .014 .000 .001 -.001 |
|
OH4 .131 0 .3974 .90 .010 .015 .009 .007 0 .002 0 |
|
F4 .131 0 .3974 .06 .010 .015 .009 .007 0 .002 0 |
|
O4 .131 0 .3974 .04 .010 .015 .009 .007 0 .002 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Phlogopite |
 |
Mesto E, Schingaro E, Scordari F, Ottolini L |
 |
American Mineralogist 91 (2006) 182-190 |
|
An electron microprobe analysis, secondary ion mass spectrometry and single |
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crystal X-ray diffraction study of phlogopites from Mt. Vulture, Potenza, Italy: |
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Consideration of cation partioning |
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Locality: Mt. Vulture, Potenza, Italy |
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Sample: LC7-27Go |
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Note: mica |
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_database_code_amcsd 0004004 |
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5.346 9.257 10.312 90 99.97 90 C2/m |
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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) |
|
K 0 0 0 .90 .031 .034 .032 .027 0 .004 0 |
|
Na 0 0 0 .05 .031 .034 .032 .027 0 .004 0 |
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Ba 0 0 0 .04 .031 .034 .032 .027 0 .004 0 |
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MgM1 0 .5 .5 .82 .011 .010 .010 .015 0 .004 0 |
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Fe2+M1 0 .5 .5 .12 .011 .010 .010 .015 0 .004 0 |
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AlM1 0 .5 .5 .06 .011 .010 .010 .015 0 .004 0 |
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MgM2 0 .8324 .5 .77 .012 .010 .012 .014 0 .0004 0 |
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Fe2+M2 0 .8324 .5 .10 .012 .010 .012 .014 0 .0004 0 |
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AlM2 0 .8324 .5 .09 .012 .010 .012 .014 0 .0004 0 |
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TiM2 0 .8324 .5 .03 .012 .010 .012 .014 0 .0004 0 |
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SiT .5758 .1666 .2274 .67 .0131 .0123 .0130 .0145 -.0012 .0026 .0003 |
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AlT .5758 .1666 .2274 .315 .0131 .0123 .0130 .0145 -.0012 .0026 .0003 |
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Fe3+T .5758 .1666 .2274 .015 .0131 .0123 .0130 .0145 -.0012 .0026 .0003 |
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O1 .8316 .2250 .1701 .023 .024 .027 .020 -.004 .006 -.002 |
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O2 .507 0 .1702 .021 .029 .022 .014 0 -.001 0 |
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O3 .6302 .1667 .3924 .016 .015 .014 .018 .001 .001 .001 |
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OH4 .133 0 .3989 .805 .016 .017 .016 .017 0 .004 0 |
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F4 .133 0 .3989 .185 .016 .017 .016 .017 0 .004 0 |
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O4 .133 0 .3989 .01 .016 .017 .016 .017 0 .004 0 |
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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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|   |
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Piergorite-(Ce) |
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Boiocchi M, Callegari A, Ottolini L |
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American Mineralogist 91 (2006) 1170-1177 |
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The crystal structure of piergorite-(Ce), |
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Ca8Ce2(Al0.5Fe3+0.5)Sum1(X,Li,Be)2Si6B8O36(OH,F)2: |
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A new borosilicate from Vetralla, Italy, |
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with a modified hellandite-type chain |
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Locality: Vetralla, Italy |
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_database_code_amcsd 0004179 |
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28.097 4.777 10.236 90 96.81 90 P2/a |
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atom x y z occ Uiso |
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CaM3A .1601 -.0088 -.1185 .98 .0080 |
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CeM3A .1601 -.0088 -.1185 .02 .0080 |
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CaM3B .1580 -.0067 -.4445 .99 .0085 |
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CeM3B .1580 -.0067 -.4445 .01 .0085 |
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CaM4A .1009 .0342 .2068 .99 .0089 |
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CeM4A .1009 .0342 .2068 .01 .0089 |
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CaM4B .2188 .0092 .2401 .95 .0071 |
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CeM4B .2188 .0092 .2401 .05 .0071 |
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CeM2 .0271 -.0207 -.3248 .46 .0059 |
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CaM2 .0271 -.0207 -.3248 .39 .0059 |
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ThM2 .0271 -.0207 -.3248 .15 .0059 |
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AlM1 0 0 0 .49 .0072 |
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Fe3+M1 0 0 0 .35 .0072 |
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TiM1 0 0 0 .16 .0072 |
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BeT .0242 .4590 .1671 .27 .0046 |
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LiT .0242 .4590 .1671 .15 .0046 |
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Si1A .0720 -.4999 -.0636 .0065 |
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Si1B .25 -.4967 .5 .0060 |
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Si2A .25 .4846 0 .0067 |
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Si2B .0668 -.4797 .4400 .0057 |
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B1A .2055 .4633 -.2688 .0127 |
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B1B .1090 .4683 -.3024 .0075 |
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B2A .1594 -.4597 .3516 .0041 |
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B2B .1610 -.4667 .0887 .0046 |
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O1 .2052 -.3206 .0369 .0067 |
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O2 .2307 .3055 -.1330 .0148 |
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O3 .2041 -.3107 .4348 .0079 |
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O4 .2310 .3149 -.3803 .0088 |
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O5 .0289 -.2418 .4686 .0093 |
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O6 .0832 .3313 -.4256 .0080 |
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O7 .1159 -.3214 .4018 .0069 |
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O8 .0464 .3115 .3220 .0144 |
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O9 .0329 -.2605 -.1112 .0181 |
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O10 .0846 .3239 -.1923 .0104 |
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O11 .0537 .2708 .0361 .0172 |
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O12 .1188 -.3308 .0040 .0080 |
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O13 .1614 .2406 .0812 .0066 |
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O14 .1601 .2481 .3618 .0062 |
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O15 .1066 -.2380 -.2998 .0075 |
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O16 .1594 -.3405 .2195 .0063 |
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O17 .2099 -.2457 -.2658 .0072 |
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O18 .1575 .3437 -.2852 .0068 |
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OH19 .0241 -.1944 .1615 .88 .0095 |
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F19 .0241 -.1944 .1615 .12 .0095 |
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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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|   |
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Phlogopite |
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Matarrese S, Schingaro E, Scordari F, Stoppa F, Rosatelli G, Pedrazzi G, Ottolini L |
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American Mineralogist 93 (2008) 426-437 |
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Crystal chemistry of phlogopite from Vulture-S. Michele Subsynthem volcanic |
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rocks (Mt. Vulture, Italy) and volcanological implications |
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Locality: Masseria Saraceno pyroclastic flow, Vulture-San Michele Subsynthem, |
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Mt. Vulture, Italy |
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Sample: VUT191_1 |
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_database_code_amcsd 0004525 |
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5.3252 9.2205 10.2458 90 99.9938 90 C2/m |
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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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K 0 0 0 .0342 .0328 .0334 .0363 0 .0060 0 |
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Mg2+M1 0 .5 .5 .8468 .0123 .0098 .0077 .0203 0 .0052 0 |
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Fe2+M1 0 .5 .5 .1532 .0123 .0098 .0077 .0203 0 .0052 0 |
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Mg2+M2 0 .83464 .5 .8319 .0138 .0091 .0127 .0196 0 .0029 0 |
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Fe2+M2 0 .83464 .5 .1681 .0138 .0091 .0127 .0196 0 .0029 0 |
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Si4+T .57542 .16675 .22673 .4137 .0136 .0114 .0103 .0193 0 .0032 .0003 |
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SiT .57542 .16675 .22673 .5765 .0136 .0114 .0103 .0193 0 .0032 .0003 |
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O1 .8310 .2255 .1694 .0219 .0189 .0228 .0245 -.0039 .0051 -.0032 |
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O2 .5067 0 .1702 .0216 .023 .016 .025 0 .0011 0 |
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O3 .6306 .1673 .3908 .0146 .0112 .0131 .0195 -.0003 .0027 -.0004 |
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O4 .1321 0 .3992 .0148 .015 .014 .016 0 .0033 0 |
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H .106 0 .321 .7607 .0148 .015 .014 .016 0 .0033 0 |
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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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|   |
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Phlogopite |
 |
Matarrese S, Schingaro E, Scordari F, Stoppa F, Rosatelli G, Pedrazzi G, Ottolini L |
| |
American Mineralogist 93 (2008) 426-437 |
|
Crystal chemistry of phlogopite from Vulture-S. Michele Subsynthem volcanic |
|
rocks (Mt. Vulture, Italy) and volcanological implications |
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Locality: Masseria Saraceno pyroclastic flow, Vulture-San Michele Subsynthem, |
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Mt. Vulture, Italy |
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Sample: VUT191_2 |
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_database_code_amcsd 0004526 |
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5.3254 9.2216 10.2411 90 100.0223 90 C2/m |
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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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K 0 0 0 .0394 .0375 .0359 .0454 0 .0087 0 |
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Mg2+M1 0 .5 .5 .8478 .0173 .0136 .0111 .0286 0 .0074 0 |
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Fe2+M1 0 .5 .5 .1521 .0173 .0136 .0111 .0286 0 .0074 0 |
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Mg2+M2 0 .8360 .5 .8109 .0194 .0135 .0170 .0282 0 .0050 0 |
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Fe2+M2 0 .8360 .5 .1891 .0194 .0135 .0170 .0282 0 .0050 0 |
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Si4+T .57527 .16678 .22626 .4483 .0180 .0142 .0127 .0279 -.0002 .0057 -.0005 |
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SiT .57527 .16678 .22626 .5479 .0180 .0142 .0127 .0279 -.0002 .0057 -.0005 |
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O1 .8315 .2245 .1692 .0271 .0226 .0287 .0315 -.0060 .0085 -.0032 |
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O2 .5055 0 .1696 .0269 .031 .017 .031 0 .002 0 |
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O3 .6302 .1675 .3913 .0181 .0135 .0136 .0280 .0002 .0055 .0004 |
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O4 .1337 0 .4006 .0181 .016 .015 .024 0 .005 0 |
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H .103 0 .327 .9009 .0181 .016 .015 .024 0 .005 0 |
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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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|   |
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Phlogopite |
 |
Matarrese S, Schingaro E, Scordari F, Stoppa F, Rosatelli G, Pedrazzi G, Ottolini L |
| |
American Mineralogist 93 (2008) 426-437 |
|
Crystal chemistry of phlogopite from Vulture-S. Michele Subsynthem volcanic |
|
rocks (Mt. Vulture, Italy) and volcanological implications |
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Locality: Masseria Saraceno pyroclastic flow, Vulture-San Michele Subsynthem, |
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Mt. Vulture, Italy |
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Sample: VUT191_10 |
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_database_code_amcsd 0004527 |
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5.3380 9.2430 10.1923 90 100.0223 90 C2/m |
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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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K 0 0 0 .0292 .0272 .0277 .0331 0 .0061 0 |
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Mg2+M1 0 .5 .5 .6593 .0115 .0116 .0072 .0163 0 .0043 0 |
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Fe2+M1 0 .5 .5 .3407 .0115 .0116 .0072 .0163 0 .0043 0 |
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Mg2+M2 0 .83813 .5 .6424 .0124 .0093 .0135 .0142 0 .00149 0 |
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Fe2+M2 0 .83813 .5 .3569 .0124 .0093 .0135 .0142 0 .00149 0 |
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Si4+T .57472 .16706 .22445 .2912 .0101 .00869 .00913 .01244 0 .00202 -.0003 |
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SiT .57472 .16706 .22445 .7013 .0101 .00869 .00913 .01244 0 .00202 -.0003 |
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O1 .8283 .22651 .16700 .0187 .0166 .0231 .0170 -.0057 .0044 -.0028 |
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O2 .5089 0 .1682 .0189 .0239 .0145 .0169 0 -.0008 0 |
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O3 .6307 .16822 .39132 .0118 .0114 .0109 .0134 .0003 .0023 0 |
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O4 .1326 0 .3996 .0123 .0112 .0131 .0125 0 .0018 0 |
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H .108 0 .313 .7867 .0123 .0112 .0131 .0125 0 .0018 0 |
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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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|   |
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Phlogopite |
 |
Matarrese S, Schingaro E, Scordari F, Stoppa F, Rosatelli G, Pedrazzi G, Ottolini L |
| |
American Mineralogist 93 (2008) 426-437 |
|
Crystal chemistry of phlogopite from Vulture-S. Michele Subsynthem volcanic |
|
rocks (Mt. Vulture, Italy) and volcanological implications |
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Locality: Masseria Saraceno pyroclastic flow, Vulture-San Michele Subsynthem, |
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Mt. Vulture, Italy |
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Sample: VUT191_11 |
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_database_code_amcsd 0004528 |
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5.3367 9.2431 10.1806 90 100.1033 90 C2/m |
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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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K 0 0 0 .0298 .0257 .0268 .0376 0 .0074 0 |
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Mg2+M1 0 .5 .5 .6897 .0128 .0119 .0080 .0195 0 .0057 0 |
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Fe2+M1 0 .5 .5 .3105 .0128 .0119 .0080 .0195 0 .0057 0 |
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Mg2+M2 0 .83933 .5 .6458 .0141 .0095 .0147 .0182 0 .0027 0 |
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Fe2+M2 0 .83933 .5 .3542 .0141 .0095 .0147 .0182 0 .0027 0 |
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Si4+T .57436 .16733 .22395 .5401 .0123 .0094 .0110 .0169 -.0004 .0034 .0002 |
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SiT .57436 .16733 .22395 .4532 .0123 .0094 .0110 .0169 -.0004 .0034 .0002 |
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O1 .8277 .2269 .1662 .0210 .0170 .0241 .0226 -.0058 .0050 -.0033 |
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O2 .5087 0 .1673 .0202 .0256 .0151 .0186 0 .0006 0 |
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O3 .6308 .1683 .3915 .0143 .0129 .0130 .0174 .0006 .0034 .0005 |
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O4 .1331 0 .4001 .0137 .0107 .0154 .0146 0 .0014 0 |
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H .092 0 .321 .6645 .0137 .0107 .0154 .0146 0 .0014 0 |
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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
|
|   |
|
Phlogopite |
 |
Matarrese S, Schingaro E, Scordari F, Stoppa F, Rosatelli G, Pedrazzi G, Ottolini L |
| |
American Mineralogist 93 (2008) 426-437 |
|
Crystal chemistry of phlogopite from Vulture-S. Michele Subsynthem volcanic |
|
rocks (Mt. Vulture, Italy) and volcanological implications |
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Locality: Masseria Saraceno pyroclastic flow, Vulture-San Michele Subsynthem, |
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Mt. Vulture, Italy |
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Sample: VUT191_13 |
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_database_code_amcsd 0004529 |
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5.3377 9.2424 10.1654 90 100.0990 90 C2/m |
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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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K 0 0 0 .0292 .0251 .0259 .0367 0 .0058 0 |
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Mg2+M1 0 .5 .5 .7072 .0107 .0082 .0078 .0169 0 .0045 0 |
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Fe2+M1 0 .5 .5 .2927 .0107 .0082 .0078 .0169 0 .0045 0 |
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Mg2+M2 0 .84067 .5 .6401 .0129 .0068 .0159 .0160 0 .0017 0 |
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Fe2+M2 0 .84067 .5 .3598 .0129 .0068 .0159 .0160 0 .0017 0 |
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Si4+T .57405 .16701 .22365 .3577 .0112 .0092 .0102 .0141 -.0001 .0020 .0001 |
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SiT .57405 .16701 .22365 .6352 .0112 .0092 .0102 .0141 -.0001 .0020 .0001 |
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O1 .8267 .2278 .1657 .0202 .0178 .0247 .0189 -.0066 .0049 -.0039 |
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O2 .5103 0 .1676 .0207 .0248 .0136 .0215 0 -.0021 0 |
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O3 .6310 .1689 .39121 .0119 .0106 .0111 .0140 .0008 .0018 -.0006 |
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O4 .1326 0 .4004 .0135 .0122 .0144 .0143 0 .0032 0 |
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H .105 0 .322 .6826 .0135 .0122 .0144 .0143 0 .0032 0 |
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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
|
|   |
|
Phlogopite |
 |
Matarrese S, Schingaro E, Scordari F, Stoppa F, Rosatelli G, Pedrazzi G, Ottolini L |
| |
American Mineralogist 93 (2008) 426-437 |
|
Crystal chemistry of phlogopite from Vulture-S. Michele Subsynthem volcanic |
|
rocks (Mt. Vulture, Italy) and volcanological implications |
|
Locality: Masseria Saraceno pyroclastic flow, Vulture-San Michele Subsynthem, |
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Mt. Vulture, Italy |
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Sample: VUT191_19 |
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_database_code_amcsd 0004530 |
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5.3341 9.2387 10.1569 90 100.0569 90 C2/m |
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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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K 0 0 0 .0287 .0253 .0245 .0365 0 .0061 0 |
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Mg2+M1 0 .5 .5 .7150 .0112 .0086 .0065 .0192 0 .0048 0 |
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Fe2+M1 0 .5 .5 .2848 .0112 .0086 .0065 .0192 0 .0048 0 |
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Mg2+M2 0 .84109 .5 .6459 .0126 .0069 .0140 .0169 0 .0020 0 |
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Fe2+M2 0 .84109 .5 .3539 .0126 .0069 .0140 .0169 0 .0020 0 |
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Si4+T .57393 .16714 .22369 .1900 .0110 .0086 .0089 .0154 -.0003 .0021 -.0002 |
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SiT .57393 .16714 .22369 .8001 .0110 .0086 .0089 .0154 -.0003 .0021 -.0002 |
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O1 .8267 .2274 .1661 .0204 .0170 .0248 .0203 -.0067 .0052 -.0026 |
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O2 .5093 0 .1675 .0204 .0283 .0107 .0206 0 -.0001 0 |
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O3 .6305 .1687 .3914 .0120 .0107 .0089 .0165 .0001 .0028 -.0002 |
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O4 .1334 0 .4006 .0132 .0111 .0128 .0160 0 .0032 0 |
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H .098 0 .316 .7209 .0132 .0111 .0128 .0160 0 .0032 0 |
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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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|   |
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Gadolinite-(Y) |
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Camara F, Oberti R, Ottolini L, Ventura G D, Bellatreccia F |
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American Mineralogist 93 (2008) 996-1004 |
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The crystal chemistry of Li in gadolinite |
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Locality: Vico lake, Latium, Italy |
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_database_code_amcsd 0004599 |
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4.7708 7.6229 9.8975 90 90.017 90 P2_1/c |
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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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CaA .9958 .1068 .3309 .40 .009 .008 .009 .008 .001 -.001 .000 |
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YA .9958 .1068 .3309 .19 .009 .008 .009 .008 .001 -.001 .000 |
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LaA .9958 .1068 .3309 .03 .009 .008 .009 .008 .001 -.001 .000 |
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CeA .9958 .1068 .3309 .12 .009 .008 .009 .008 .001 -.001 .000 |
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PrA .9958 .1068 .3309 .02 .009 .008 .009 .008 .001 -.001 .000 |
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NdA .9958 .1068 .3309 .08 .009 .008 .009 .008 .001 -.001 .000 |
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SmA .9958 .1068 .3309 .02 .009 .008 .009 .008 .001 -.001 .000 |
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EuA .9958 .1068 .3309 .00 .009 .008 .009 .008 .001 -.001 .000 |
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GdA .9958 .1068 .3309 .02 .009 .008 .009 .008 .001 -.001 .000 |
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DyA .9958 .1068 .3309 .02 .009 .008 .009 .008 .001 -.001 .000 |
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ErA .9958 .1068 .3309 .01 .009 .008 .009 .008 .001 -.001 .000 |
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YbA .9958 .1068 .3309 .01 .009 .008 .009 .008 .001 -.001 .000 |
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ThA .9958 .1068 .3309 .07 .009 .008 .009 .008 .001 -.001 .000 |
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UA .9958 .1068 .3309 .01 .009 .008 .009 .008 .001 -.001 .000 |
|
Fe2+X 0 0 0 .50 .007 .006 .008 .007 .001 -.001 .001 |
|
LiX 0 0 0 .23 .007 .006 .008 .007 .001 -.001 .001 |
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Fe3+X 0 0 0 .21 .007 .006 .008 .007 .001 -.001 .001 |
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MnX 0 0 0 .03 .007 .006 .008 .007 .001 -.001 .001 |
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MgX 0 0 0 .02 .007 .006 .008 .007 .001 -.001 .001 |
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SiZ .5462 .4106 .3384 .50 .006 .005 .006 .006 -.001 -.001 .000 |
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BeZ .5462 .4106 .3384 .27 .006 .005 .006 .006 -.001 -.001 .000 |
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BZ .5462 .4106 .3384 .20 .006 .005 .006 .006 -.001 -.001 .000 |
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LiZ .5462 .4106 .3384 .03 .006 .005 .006 .006 -.001 -.001 .000 |
|
SiT .4765 .2704 .0813 .50 .006 .007 .006 .006 -.001 .000 .000 |
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BeT .4765 .2704 .0813 .27 .006 .007 .006 .006 -.001 .000 .000 |
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BT .4765 .2704 .0813 .20 .006 .007 .006 .006 -.001 .000 .000 |
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LiT .4765 .2704 .0813 .03 .006 .007 .006 .006 -.001 .000 .000 |
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O1 .2408 .4052 .0343 .010 .008 .013 .010 .001 .000 .001 |
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O2 .6723 .2924 .4542 .011 .013 .009 .012 .000 .005 .001 |
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O3 .6834 .3401 .2024 .012 .013 .013 .010 -.003 -.002 .000 |
|
O4 .3173 .0968 .1432 .011 .015 .009 .008 -.005 .003 .001 |
|
O5 .2270 .4105 .3350 .011 .010 .013 .010 .001 .000 .000 |
|
|
| 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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Fluor-arfvedsonite |
| |
Hawthorne F C, Oberti R, Ottolini L |
 |
The Canadian Mineralogist 34 (1996) 1015-1019 |
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Lithium-bearing fluor-arfvedsonite from Hurricane |
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Mountain, New Hampshire: a crystal-chemical study |
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Sample: H1 - 2[(K.32Na.68)Na2(Li.48Fe2.83Mn.10Zn.06Fe1.46Ti.07) |
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(Si7.88Al0.12)O22(F1.14{OH}.85)] |
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Locality: Hurricane Mountain, New Hampshire, USA |
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_database_code_amcsd 0005507 |
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9.838 17.991 5.315 90 103.78 90 C2/m |
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atom x y z occ Biso |
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SiT1 .2787 .0858 .2904 .97 .41 |
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AlT1 .2787 .0858 .2904 .03 .41 |
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SiT2 .2894 .1706 .8006 .42 |
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FeM1 0 .08996 .5 .58 |
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FeM2 0 .18220 0 .94 .50 |
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TiM2 0 .18220 0 .03 .50 |
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ZnM2 0 .18220 0 .03 .50 |
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LiM3 0 0 0 .48 .61 |
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FeM3 0 0 0 .42 .61 |
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MnM3 0 0 0 .10 .61 |
|
NaM4 0 .27752 .5 1.20 |
|
NaA 0 .5 0 .14 1.71 |
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KA 0 .5 0 .06 1.71 |
|
NaA(m) .0510 .5 .1070 .14 2.30 |
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KA(m) .0510 .5 .1070 .07 2.30 |
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NaA(2) 0 .4870 0 .13 2.25 |
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KA(2) 0 .4870 0 .06 2.25 |
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O1 .1110 .0909 .2071 .59 |
|
O2 .1199 .1718 .7354 .62 |
|
F3 .1122 0 .7078 .58 1.11 |
|
OH3 .1122 0 .7078 .42 1.11 |
|
O4 .3647 .2490 .8009 .82 |
|
O5 .3490 .1274 .0797 .77 |
|
O6 .3407 .1200 .5787 .70 |
|
O7 .3329 0 .2987 .85 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-arfvedsonite |
| |
Hawthorne F C, Oberti R, Ottolini L |
 |
The Canadian Mineralogist 34 (1996) 1015-1019 |
|
Lithium-bearing fluor-arfvedsonite from Hurricane |
|
Mountain, New Hampshire: a crystal-chemical study |
|
Sample:H2 - 2[(K.25Na.75)Na2(Li.48Fe2.84Mn.11Zn.05Fe1.45Ti.07) |
|
(Si7.89Al0.11)O22(F1.35{OH}.65)] |
|
Locality: Hurricane Mountain, New Hampshire, USA |
|
_database_code_amcsd 0005508 |
|
9.832 17.990 5.316 90 103.79 90 C2/m |
|
atom x y z occ Biso |
|
SiT1 .2787 .0859 .2907 .97 .46 |
|
AlT1 .2787 .0859 .2907 .03 .46 |
|
SiT2 .2894 .1706 .8010 .97 .47 |
|
AlT2 .2894 .1706 .8010 .03 .47 |
|
FeM1 0 .08992 .5 .61 |
|
FeM2 0 .18222 0 .94 .54 |
|
TiM2 0 .18222 0 .03 .54 |
|
ZnM2 0 .18222 0 .03 .54 |
|
LiM3 0 0 0 .48 .60 |
|
LiM3 0 0 0 .41 .60 |
|
LiM3 0 0 0 .11 .60 |
|
NaM4 0 .27767 .5 1.19 |
|
NaA 0 .5 0 .37 1.19 |
|
KA 0 .5 0 .13 1.19 |
|
NaA(m) .0468 .5 .1028 .19 2.93 |
|
KA(m) .0468 .5 .1028 .06 2.93 |
|
O1 .1106 .0911 .2072 .65 |
|
O2 .1199 .1721 .7353 .66 |
|
F3 .1125 0 .7081 .68 1.12 |
|
OH3 .1125 0 .7081 .32 1.12 |
|
O4 .3649 .2489 .8008 .86 |
|
O5 .3489 .1276 .0811 .81 |
|
O6 .3407 .1201 .5784 .77 |
|
O7 .3328 0 .2995 .90 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Staurolite |
 |
Oberti R, Hawthorne F C, Zanetti A, Ottolini L |
 |
The Canadian Mineralogist 34 (1996) 1051-1057 |
|
Crystal-structure refinement of a highly ordered staurolite |
|
_database_code_amcsd 0005514 |
|
7.877 16.609 5.665 90 90.68 90 C2/m |
|
atom x y z occ Biso |
|
SiT1 .13379 .16615 .24544 .30 |
|
FeT2 .38950 0 .23730 .34 .64 |
|
ZnT2 .38950 0 .23730 .6 .64 |
|
MgT2 .38950 0 .23730 .06 .64 |
|
Al1a .5 .17458 0 .91 .21 |
|
Mg1a .5 .17458 0 .09 .21 |
|
Al1b .5 .17502 .5 .91 .30 |
|
Mg1b .5 .17502 .5 .09 .30 |
|
Al2 .26292 .41040 .25527 .97 .38 |
|
Mg2 .26292 .41040 .25527 .02 .38 |
|
Ti2 .26292 .41040 .25527 .01 .38 |
|
Al3a 0 0 0 .44 .42 |
|
Mg3a 0 0 0 .06 .42 |
|
Al3b 0 0 .5 .44 1.69 |
|
Mg3b 0 0 .5 .06 1.69 |
|
FeM4 .5 0 0 .01 .87 |
|
O1a .23322 0 .95742 .57 |
|
O1b .23857 0 .52372 .52 |
|
O2a .25648 .16152 .01521 .41 |
|
O2b .25231 .16101 .48307 .47 |
|
O3 .00126 .08935 .23690 .47 |
|
O4 .02272 .24946 .24778 .49 |
|
O5 .52685 .09893 .24905 .43 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Sodic-ferri-ferropedrizite |
| |
Oberti R, Camara F, Caballero J M, Ottolini L |
 |
The Canadian Mineralogist 41 (2003) 1345-1354 |
|
Sodic-ferri-ferropedrizite and ferri-clinoferroholmquistite: mineral data and |
|
degree of order of the A-site cations in Li-rich amphiboles |
|
Sequence number in the CNR-IGG database: SEQ 1039 |
|
_database_code_amcsd 0005890 |
|
9.496 17.883 5.297 90 102.06 90 C2/m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
NaAm .0750 1/2 .1514 .53 2.52 .0109 .0012 .0283 0 .0131 0 |
|
KAm .0750 1/2 .1514 .03 2.52 .0109 .0012 .0283 0 .0131 0 |
|
FeM4 0 .2703 1/2 .30 2.06 .0029 .0031 .0139 0 .0051 0 |
|
CaM4 0 .2703 1/2 .01 2.06 .0029 .0031 .0139 0 .0051 0 |
|
NaM4 0 .2703 1/2 .03 2.06 .0029 .0031 .0139 0 .0051 0 |
|
LiM4' 0 .2542 1/2 .61 1.76 .0036 .0025 .0089 0 .0016 0 |
|
CaM4' 0 .2542 1/2 .01 1.76 .0036 .0025 .0089 0 .0016 0 |
|
NaM4' 0 .2542 1/2 .04 1.76 .0036 .0025 .0089 0 .0016 0 |
|
MgM1 0 .0882 1/2 .50 .55 .0018 .0005 .0044 0 .0011 0 |
|
FeM1 0 .0882 1/2 .50 .55 .0018 .0005 .0044 0 .0011 0 |
|
FeM2 0 .1814 0 .83 .47 .0013 .0004 .0044 0 .0005 0 |
|
AlM2 0 .1814 0 .11 .47 .0013 .0004 .0044 0 .0005 0 |
|
TiM2 0 .1814 0 .06 .47 .0013 .0004 .0044 0 .0005 0 |
|
LiM3 0 0 0 .58 .60 .0020 .0003 .0058 0 .0003 0 |
|
LiM3 0 0 0 .07 .60 .0020 .0003 .0058 0 .0003 0 |
|
MnM3 0 0 0 .35 .60 .0020 .0003 .0058 0 .0003 0 |
|
SiT1 .2857 .0864 .2767 .40 .0013 .0003 .0035 .0000 .0004 .0000 |
|
SiT2 .2969 .1712 .7860 .42 .0013 .0003 .0034 -.0001 .0004 .0000 |
|
O1 .1119 .0915 .2033 .55 .0013 .0005 .0052 .0000 .0004 .0000 |
|
O2 .1219 .1741 .7316 .61 .0014 .0006 .0055 .0000 .0006 .0002 |
|
O3 .1152 0 .7019 .72 .91 .0025 .0007 .0091 0 .0008 0 |
|
F3 .1152 0 .7019 .28 .91 .0025 .0007 .0091 0 .0008 0 |
|
O4 .3754 .2501 .7817 .79 .0026 .0005 .0074 -.0005 .0002 .0001 |
|
O5 .3546 .1292 .0626 .78 .0017 .0009 .0060 .0000 .0008 .0011 |
|
O6 .3466 .1206 .5615 .86 .0019 .0010 .0055 .0002 .0004 -.0011 |
|
O7 .3388 0 .2802 .85 .0022 .0003 .0127 0 .0008 0 |
|
H .189 0 .734 .72 1.55 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ferri-clinoferroholmquistite |
| |
Oberti R, Camara F, Caballero J M, Ottolini L |
 |
The Canadian Mineralogist 41 (2003) 1345-1354 |
|
Sodic-ferri-ferropedrizite and ferri-clinoferroholmquistite: mineral data and |
|
degree of order of the A-site cations in Li-rich amphiboles |
|
Sequence number in the CNR-IGG database: SEQ 1043 |
|
_database_code_amcsd 0005891 |
|
9.462 17.898 5.302 90 101.88 90 C2/m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
NaAm .0783 1/2 .1545 .28 2.66 .0095 .0014 .0314 0 .0099 0 |
|
LiM4' 0 .2571 1/2 .95 2.03 .0046 .0027 .0112 0 .0036 0 |
|
CaM4' 0 .2571 1/2 .01 2.03 .0046 .0027 .0112 0 .0036 0 |
|
NaM4' 0 .2571 1/2 .04 2.03 .0046 .0027 .0112 0 .0036 0 |
|
MgM1 0 .0890 1/2 .51 .57 .0019 .0004 .0054 0 .0012 0 |
|
FeM1 0 .0890 1/2 .49 .57 .0019 .0004 .0054 0 .0012 0 |
|
FeM2 0 .1820 0 .86 .49 .0014 .0004 .0049 0 .0006 0 |
|
AlM2 0 .1820 0 .13 .49 .0014 .0004 .0049 0 .0006 0 |
|
ZnM2 0 .1820 0 .01 .49 .0014 .0004 .0049 0 .0006 0 |
|
LiM3 0 0 0 .28 .61 .0021 .0004 .0057 0 .0005 0 |
|
MnM3 0 0 0 .14 .61 .0021 .0004 .0057 0 .0005 0 |
|
FeM3 0 0 0 .54 .61 .0021 .0004 .0057 0 .0005 0 |
|
MgM3 0 0 0 .04 .61 .0021 .0004 .0057 0 .0005 0 |
|
SiT1 .2869 .0864 .2761 .44 .0013 .0003 .0045 .0000 .0006 .0000 |
|
SiT2 .2975 .1712 .7854 .460 .0014 .0003 .0044 -.0001 .0006 .0000 |
|
O1 .1122 .0914 .2020 .60 .0013 .0005 .0065 .0000 .0006 .0000 |
|
O2 .1219 .1742 .7314 .62 .0014 .0005 .0064 .0000 .0007 .0001 |
|
O3 .1148 0 .7022 .90 .87 .0022 .0007 .0092 0 .0007 0 |
|
F3 .1148 0 .7022 .10 .87 .0022 .0007 .0092 0 .0007 0 |
|
O4 .3759 .2501 .7805 .80 .0027 .0005 .0080 -.0004 .0007 .0002 |
|
O5 .3549 .1297 .0617 .80 .0017 .0008 .0072 .0000 .0009 .0010 |
|
O6 .3468 .1207 .5604 .89 .0020 .0010 .0063 .0002 .0005 -.0010 |
|
O7 .3389 0 .2796 .87 .0024 .0002 .0144 0 .0013 0 |
|
H .198 0 .744 .90 2.77 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Wiluite |
| |
Bellatreccia F, Camara F, Ottolini L, Della Ventura G, Cibin G, Mottana A |
 |
The Canadian Mineralogist 43 (2005) 1457-1468 |
|
Wiluite from Ariccia, Latium, Italy: Occurrence and crystal structure |
|
Locality: Ariccia, Latium, Italy |
|
_database_code_amcsd 0006057 |
|
15.716 15.716 11.704 90 90 90 *P4/nnc |
|
.25 .25 .25 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaX1 .75 .25 .25 .0092 .0137 .0080 .0058 0 0 0 |
|
CaX2 -.19038 .04495 .37987 .97875 .0101 .0096 .0119 .0087 .0016 -.0011 .0001 |
|
MgX2 -.19038 .04495 .37987 .01875 .0101 .0096 .0119 .0087 .0016 -.0011 .0001 |
|
SrX2 -.19038 .04495 .37987 .0025 .0101 .0096 .0119 .0087 .0016 -.0011 .0001 |
|
CaX3 -.10090 -.17893 .89483 .97861 .0175 .0131 .0160 .0234 .0004 -.0044 -.0023 |
|
LaX3 -.10090 -.17893 .89483 .00625 .0175 .0131 .0160 .0234 .0004 -.0044 -.0023 |
|
CeX3 -.10090 -.17893 .89483 .005 .0175 .0131 .0160 .0234 .0004 -.0044 -.0023 |
|
NdX3 -.10090 -.17893 .89483 .00125 .0175 .0131 .0160 .0234 .0004 -.0044 -.0023 |
|
CaX4 .75 .75 .14318 .5 .0105 .0087 .0087 .0142 0 0 0 |
|
Fe3+Y1 .75 .75 .05586 .18 .0188 .0102 .0102 .0359 0 0 0 |
|
TiY1 .75 .75 .05586 .135 .0188 .0102 .0102 .0359 0 0 0 |
|
MgY1 .75 .75 .05586 .13 .0188 .0102 .0102 .0359 0 0 0 |
|
MnY1 .75 .75 .05586 .055 .0188 .0102 .0102 .0359 0 0 0 |
|
AlY2 0 0 0 .9175 .0091 .0076 .0078 .0118 .0005 -.0002 -.0009 |
|
Fe3+Y2 0 0 0 .0475 .0091 .0076 .0078 .0118 .0005 -.0002 -.0009 |
|
MgY2 0 0 0 .035 .0091 .0076 .0078 .0118 .0005 -.0002 -.0009 |
|
MgY3 -.11165 .12018 .12789 .41875 .0094 .0101 .0100 .0081 .0007 .0004 -.0004 |
|
AlY3 -.11165 .12018 .12789 .41125 .0094 .0101 .0100 .0081 .0007 .0004 -.0004 |
|
Fe3+Y3 -.11165 .12018 .12789 .17 .0094 .0101 .0100 .0081 .0007 .0004 -.0004 |
|
BT1 .05304 .05304 .25 .545 .0183 .0217 .0217 .0115 -.0066 -.0089 .0089 |
|
AlT1 .05304 .05304 .25 .005 .0183 .0217 .0217 .0115 -.0066 -.0089 .0089 |
|
BeT1 .05304 .05304 .25 .005 .0183 .0217 .0217 .0115 -.0066 -.0089 .0089 |
|
HT1 .05304 .05304 .25 .1175 .0183 .0217 .0217 .0115 -.0066 -.0089 .0089 |
|
BT2 .25 .25 .25 .68 .0100 |
|
HT2 .25 .25 .2070 .16 .0200 |
|
SiZ1 .75 .25 0 .0069 .0075 .0075 .0056 0 0 0 |
|
SiZ2 -.17859 .04304 .87208 .0099 .0096 .0129 .0073 .0017 -.0006 .0018 |
|
SiZ3 -.08389 -.15020 .36491 .0079 .0099 .0070 .0070 .0014 .0006 .0003 |
|
O1 -.21994 .17280 .08462 .0107 .0140 .0092 .0090 .0000 -.0005 .0008 |
|
O2 -.12070 .16054 .28284 .0127 .0166 .0102 .0113 -.0002 -.0046 .0014 |
|
O3 -.04282 .22472 .07802 .0133 .0173 .0126 .0101 .0056 .0029 .0020 |
|
O4 -.06177 .10461 .47133 .0103 .0122 .0097 .0091 .0004 -.0018 .0008 |
|
O5 -.17148 .01169 .17953 .0117 .0119 .0131 .0101 .0048 .0004 -.0014 |
|
O6 -.12105 -.27629 .05351 .0148 .0190 .0122 .0133 .0021 .0023 .0053 |
|
O7A .05565 .1760 .3201 .5 .0102 |
|
O7B .0445 .1466 .3069 .5 .0172 |
|
O8 -.06037 -.09201 .06654 .0099 .0089 .0093 .0114 .0018 .0017 -.0003 |
|
O9 -.14607 -.14607 .25 .0124 .0136 .0136 .0099 -.0018 -.0015 .0015 |
|
O10 .75 .75 .8700 .66 .0305 .0317 .0317 .0279 0 0 0 |
|
O11A -.0030 .0628 .1351 .48438 .0079 |
|
O11B -.0013 .0536 .1543 .36438 .0109 |
|
F11B -.0013 .0536 .1543 .15124 .0109 |
|
O12 .1772 .2733 .2044 .34 .0263 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Oxykinoshitalite |
| |
Kogarko L N, Uvarova Y A, Sokolova E, Hawthorne F C, Ottolini L, Grice J D |
 |
The Canadian Mineralogist 43 (2005) 1501-1510 |
|
Oxykinoshitalite, a new species of mica from Fernando-do-Noronha island, Brazil: |
|
Occurrence and crystal structure |
|
Locality: Fernando-do-Noronha island, Brazil |
|
_database_code_amcsd 0006061 |
|
5.3516 9.2817 10.0475 90 100.337 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
BaI 0 0 0 .47 .0229 .0197 .0205 .0285 0 .0046 0 |
|
KI 0 0 0 .42 .0229 .0197 .0205 .0285 0 .0046 0 |
|
NaI 0 0 0 .06 .0229 .0197 .0205 .0285 0 .0046 0 |
|
CaI 0 0 0 .01 .0229 .0197 .0205 .0285 0 .0046 0 |
|
MgM1 0 .5 .5 .52 .0102 .0082 .0065 .0167 0 .0043 0 |
|
Fe2+M1 0 .5 .5 .13 .0102 .0082 .0065 .0167 0 .0043 0 |
|
Fe3+M1 0 .5 .5 .27 .0102 .0082 .0065 .0167 0 .0043 0 |
|
Ti4+M1 0 .5 .5 .08 .0102 .0082 .0065 .0167 0 .0043 0 |
|
MgM2 0 .15509 .5 .42 .0127 .0067 .0175 .0139 0 .0014 0 |
|
Ti4+M2 0 .15509 .5 .335 .0127 .0067 .0175 .0139 0 .0014 0 |
|
Fe3+M2 0 .15509 .5 .165 .0127 .0067 .0175 .0139 0 .0014 0 |
|
Fe2+M2 0 .15509 .5 .075 .0127 .0067 .0175 .0139 0 .0014 0 |
|
MnM2 0 .15509 .5 .005 .0127 .0067 .0175 .0139 0 .0014 0 |
|
SiT .5736 .16750 .22032 .578 .0111 .0083 .0106 .0145 -.0005 .0024 .0001 |
|
AlT .5736 .16750 .22032 .39 .0111 .0083 .0106 .0145 -.0005 .0024 .0001 |
|
O1 .8179 .2354 .1586 .0227 .0192 .0287 .0210 -.0075 .0060 -.0030 |
|
O2 .6314 .1709 .3903 .0135 .0120 .0107 .0180 -.0007 .0031 .0007 |
|
O3 .5223 0 .1603 .0202 .029 .0163 .013 0 -.0012 0 |
|
O4 .1257 0 .3964 .72 .0160 .0093 .023 .016 0 .0031 0 |
|
OH4 .1257 0 .3964 .155 .0160 .0093 .023 .016 0 .0031 0 |
|
F4 .1257 0 .3964 .125 .0160 .0093 .023 .016 0 .0031 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Beryl |
 |
Groat L A, Rossman G R, Dyar M D, Turner D, Piccoli P M B, |
|
Schultz A J, Ottolini L |
| |
The Canadian Mineralogist 48 (2010) 597-613 |
|
Crystal chemistry of dark blue aquamarine from the True Blue showing, |
|
Yukon Territory, Canada |
|
Note: X-ray |
|
Locality: True Blue showing, Yukon Territory, Canada |
|
_database_code_amcsd 0006282 |
|
9.2909 9.2909 9.1996 90 90 120 P6/mcc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Be .5 0 .25 .0087 .0096 .008 .0078 .0041 0 0 |
|
Al 1/3 2/3 .25 .678 .0058 .0055 .0055 .0065 .0027 0 0 |
|
Mg 1/3 2/3 .25 .129 .0058 .0055 .0055 .0065 .0027 0 0 |
|
Fe 1/3 2/3 .25 .192 .0058 .0055 .0055 .0065 .0027 0 0 |
|
Si .38506 .11197 0 .0057 .0060 .0055 .0059 .0031 0 0 |
|
O1 .3044 .2300 0 .0138 .0144 .0121 .0194 .0100 0 0 |
|
O2 .49435 .14133 .14509 .0106 .0134 .0130 .0079 .0084 -.0024 -.0003 |
|
Na 0 0 0 .425 .017 .011 .011 .028 .0055 0 0 |
|
OW 0 0 .25 .912 .049 .060 .060 .028 .030 0 0 |
|
H .0 .09 .19 .912 .05 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Beryl |
 |
Groat L A, Rossman G R, Dyar M D, Turner D, Piccoli P M B, |
|
Schultz A J, Ottolini L |
| |
The Canadian Mineralogist 48 (2010) 597-613 |
|
Crystal chemistry of dark blue aquamarine from the True Blue showing, |
|
Yukon Territory, Canada |
|
Note: neutron |
|
Locality: True Blue showing, Yukon Territory, Canada |
|
_database_code_amcsd 0006283 |
|
9.258 9.258 9.156 90 90 120 P6/mcc |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Be .5 0 .25 .0073 .0078 .0074 .0067 .0037 0 0 |
|
Al 1/3 2/3 .25 .678 .0056 .0056 .0056 .0056 .0028 0 0 |
|
Mg 1/3 2/3 .25 .129 .0056 .0056 .0056 .0056 .0028 0 0 |
|
Fe 1/3 2/3 .25 .192 .0056 .0056 .0056 .0056 .0028 0 0 |
|
Si .3855 .1123 0 .0052 .0057 .0052 .0050 .0029 0 0 |
|
O1 .3047 .2302 0 .0113 .0118 .0112 .0151 .0089 0 0 |
|
O2 .49500 .14196 .14519 .0089 .0110 .0124 .0061 .0080 -.0011 -.0006 |
|
Na 0 0 0 .432 .011 .009 .009 .015 .004 0 0 |
|
OW 0 0 .25 .912 .0186 .021 .021 .014 .0105 0 0 |
|
H .025 .094 .181 .912 .052 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-dravite |
| |
Clark C M, Hawthorne F C, Ottolini L |
| |
The Canadian Mineralogist 49 (2011) 57-62 |
|
Fluor-dravite, NaMg3Al6Si6O18(BO3)3(OH)3F, a new mineral species of the tourmaline |
|
group from the Crabtree Emerald mine, Mitchell County, North Carolina: |
|
Description and crystal structure |
|
Locality: the Crabtree Emerald mine, Mitchell County, North Carolina, USA |
|
_database_code_amcsd 0018741 |
|
15.955 15.955 7.153 90 90 120 R3m |
|
atom x y z occ Uiso |
|
NaX 0 0 .84080 .88 .0209 |
|
CaX 0 0 .84080 .04 .0209 |
|
MgY .06312 .93688 .44473 .43 .0088 |
|
FeY .06312 .93688 .44473 .29 .0088 |
|
AlY .06312 .93688 .44473 .19 .0088 |
|
MnY .06312 .93688 .44473 .03 .0088 |
|
TiY .06312 .93688 .44473 .01 .0088 |
|
LiY .06312 .93688 .44473 .04 .0088 |
|
AlZ .26174 .29827 .45757 .91 .0071 |
|
MgZ .26174 .29827 .45757 .09 .0071 |
|
SiT .19009 .19191 .07041 .0067 |
|
B .88998 .11002 .61615 .0082 |
|
F1 0 0 .29119 .61 .0197 |
|
OH1 0 0 .29119 .39 .0197 |
|
OH2 .93841 .06159 .59029 .0122 |
|
O3 .13491 .86509 .55913 .0114 |
|
O4 .90702 .09298 .00075 .0109 |
|
O5 .09271 .90729 -.02049 .0108 |
|
O6 .18803 .19746 .29369 .0094 |
|
O7 .28527 .28493 -.01074 .0092 |
|
O8 .27133 .21031 .62784 .0100 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fluor-liddicoatite |
| |
Aurisicchio C, Demartin F, Ottolini L, Pezzotta F |
| |
European Journal of Mineralogy 11 (1999) 237-242 |
|
Homogeneous liddicoatite from Madagascar: a possible |
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reference material? First EMPA, SIMS and SREF data |
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Sample: 1 |
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Locality: Madagascar |
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_database_code_amcsd 0006766 |
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15.880 15.880 7.118 90 90 120 R3m |
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atom x y z occ Biso |
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CaX 0 0 .2339 .483 .643 |
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NaX 0 0 .2339 .412 .643 |
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KX 0 0 .2339 .105 .643 |
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LiY .93831 .06169 .6289 2/3 .673 |
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AlY .93831 .06169 .6289 1/3 .673 |
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AlZ .29730 .26033 .61097 .466 |
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Si .19208 .19020 -.00105 .377 |
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B .10932 .89068 .4528 .56 |
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F1 .9887 .0113 .7868 .109 1.24 |
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O1 .9887 .0113 .7868 .127 1.24 |
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OH1 .9887 .0113 .7868 .097 1.24 |
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OH1 .2695 .13475 .5085 .84 |
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O2 .06062 .93938 .4782 1.60 |
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O3 .09253 .18506 .0719 .73 |
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O4 .1849 .09245 .0938 .76 |
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O5 .19663 .18679 .7751 .66 |
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O6 .28586 .28578 .0803 .57 |
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O7 .20966 .27029 .4409 .68 |
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Fluor-liddicoatite |
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Aurisicchio C, Demartin F, Ottolini L, Pezzotta F |
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European Journal of Mineralogy 11 (1999) 237-242 |
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Homogeneous liddicoatite from Madagascar: a possible |
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reference material? First EMPA, SIMS and SREF data |
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Sample: 2 |
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Locality: Madagascar |
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_database_code_amcsd 0006767 |
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15.882 15.882 7.115 90 90 120 R3m |
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atom x y z occ Biso |
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CaX 0 0 .2361 .452 .66 |
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NaX 0 0 .2361 .435 .66 |
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KX 0 0 .2361 .04 .66 |
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LiY .93825 .06175 .6308 2/3 .651 |
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AlY .93825 .06175 .6308 1/3 .651 |
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AlZ .29725 .26030 .61261 .460 |
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Si .19207 .19018 .00057 .360 |
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B .10938 .89062 .4548 .54 |
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F1 .9888 .0112 .7874 .109 1.33 |
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O1 .9888 .0112 .7874 .094 1.33 |
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OH1 .9888 .0112 .7874 .130 1.33 |
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OH1 .2696 .1348 .5099 .86 |
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O2 .06047 .93953 .4800 1.60 |
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O3 .09251 .18502 .0736 .74 |
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O4 .1849 .09245 .0953 .75 |
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O5 .19646 .18665 .7768 .63 |
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O6 .28575 .28560 .0820 .56 |
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O7 .20969 .27035 .4429 .66 |
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Phlogopite |
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Scordari F, Schingaro E, Ventruti G, Lacalamita M, Ottolini L |
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Physics and Chemistry of Minerals 35 (2008) 163-174 |
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Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content |
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appraisal by a multi-methodic approach |
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Locality: Mt. Vulture, Italy |
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Note: Sample LC6_R7 |
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_database_code_amcsd 0018308 |
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5.3416 9.2411 10.2332 90 99.983 90 C2/m |
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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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K 0 .5 0 .0328 .028 .028 .043 0 .0077 0 |
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MgM1 0 0 .5 .799 .0101 .0075 .0068 .0170 0 .0047 0 |
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FeM1 0 0 .5 .201 .0101 .0075 .0068 .0170 0 .0047 0 |
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MgM2 0 .3375 .5 .718 .0111 .0064 .0111 .0157 0 .0014 0 |
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FeM2 0 .3375 .5 .282 .0111 .0064 .0111 .0157 0 .0014 0 |
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Si .0748 .1671 .2254 .0099 .0070 .0075 .0154 .0001 .0027 -.0001 |
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O1 .3286 .2271 .1690 .0194 .017 .022 .021 -.0053 .0056 -.004 |
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O2 .0105 0 .1703 .0201 .025 .014 .020 0 .000 0 |
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O3 .1317 .1682 .3925 .0108 .0078 .0084 .016 -.0003 .0026 .0001 |
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O4 .1334 .5 .4001 .0113 .010 .010 .014 0 .003 0 |
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H .11 .5 .311 .795 .0113 .010 .010 .014 0 .003 0 |
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|   |
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Phlogopite |
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Scordari F, Schingaro E, Ventruti G, Lacalamita M, Ottolini L |
| |
Physics and Chemistry of Minerals 35 (2008) 163-174 |
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Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content |
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appraisal by a multi-methodic approach |
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Locality: Mt. Vulture, Italy |
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Note: Sample LC6_R29 |
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_database_code_amcsd 0018309 |
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5.3400 9.2376 10.2414 90 100.014 90 C2/m |
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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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K 0 .5 0 .0313 .026 .025 .044 0 .008 0 |
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MgM1 0 0 .5 .778 .0105 .008 .007 .017 0 .004 0 |
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FeM1 0 0 .5 .222 .0105 .008 .007 .017 0 .004 0 |
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MgM2 0 .3371 .5 .705 .0114 .0080 .0104 .0155 0 .0017 0 |
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FeM2 0 .3371 .5 .295 .0114 .0080 .0104 .0155 0 .0017 0 |
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Si .0747 .1672 .2251 .0106 .0087 .0088 .0143 -.0007 .0023 -.0009 |
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O1 .3274 .2287 .1690 .0228 .020 .030 .019 -.011 .005 -.005 |
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O2 .013 0 .1708 .0221 .030 .013 .021 0 -.002 0 |
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O3 .1317 .1693 .3923 .0138 .013 .013 .015 .000 .002 .000 |
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O4 .132 .5 .3997 .0158 .016 .015 .017 0 .005 0 |
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H .11 .5 .310 .777 .0158 .016 .015 .017 0 .005 0 |
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|   |
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Phlogopite |
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Scordari F, Schingaro E, Ventruti G, Lacalamita M, Ottolini L |
| |
Physics and Chemistry of Minerals 35 (2008) 163-174 |
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Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content |
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appraisal by a multi-methodic approach |
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Locality: Mt. Vulture, Italy |
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Note: Sample LC7_R2 |
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_database_code_amcsd 0018310 |
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5.3369 9.2355 10.2267 90 100.050 90 C2/m |
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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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K 0 .5 0 .0345 .027 .030 .047 0 .008 0 |
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MgM1 0 0 .5 .805 .0129 .008 .008 .024 0 .006 0 |
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FeM1 0 0 .5 .195 .0129 .008 .008 .024 0 .006 0 |
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MgM2 0 .3352 .5 .765 .0137 .0063 .0127 .022 0 .0024 0 |
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FeM2 0 .3352 .5 .235 .0137 .0063 .0127 .022 0 .0024 0 |
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Si .0751 .1672 .2256 .0125 .0072 .0108 .0197 .0001 .0030 -.0002 |
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O1 .3277 .2285 .1695 .0218 .016 .023 .027 -.005 .006 -.002 |
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O2 .0129 0 .1704 .0214 .024 .013 .026 0 .001 0 |
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O3 .1307 .1683 .3919 .0141 .009 .013 .021 .001 .004 .001 |
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O4 .1327 .5 .4004 .0121 .011 .012 .013 0 .001 0 |
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H .09 .5 .311 .536 .0121 .011 .012 .013 0 .001 0 |
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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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Phlogopite |
 |
Scordari F, Schingaro E, Ventruti G, Lacalamita M, Ottolini L |
| |
Physics and Chemistry of Minerals 35 (2008) 163-174 |
|
Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content |
|
appraisal by a multi-methodic approach |
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Locality: Mt. Vulture, Italy |
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Note: Sample LC7_R4 |
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_database_code_amcsd 0018311 |
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5.3237 9.2149 10.1597 90 99.970 90 C2/m |
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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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K 0 .5 0 .0295 .0275 .0274 .0337 0 .0057 0 |
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MgM1 0 0 .5 .7679 .0101 .0089 .0079 .0143 0 .0039 0 |
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FeM1 0 0 .5 .2321 .0101 .0089 .0079 .0143 0 .0039 0 |
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MgM2 0 .34164 .5 .6534 .0117 .0077 .0143 .0131 0 .0015 0 |
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FeM2 0 .34164 .5 .3466 .0117 .0077 .0143 .0131 0 .0015 0 |
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Si .07345 .16719 .22403 .0097 .0087 .0087 .0117 .0001 .0019 .0001 |
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O1 .3274 .2270 .1664 .0181 .0164 .0220 .0164 -.0051 .0046 -.0031 |
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O2 .0088 0 .1682 .0183 .0234 .0129 .0173 0 0 0 |
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O3 .1297 .1685 .3915 .0104 .0095 .0098 .0121 .0004 .0018 .0001 |
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O4 .1356 .5 .4013 .0109 .0107 .0113 .0110 0 .0030 0 |
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H .12 .5 .315 .195 .0109 .0107 .0113 .0110 0 .0032 0 |
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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
|
|   |
|
Phlogopite |
 |
Scordari F, Schingaro E, Ventruti G, Lacalamita M, Ottolini L |
| |
Physics and Chemistry of Minerals 35 (2008) 163-174 |
|
Red micas from basal ignimbrites of Mt. Vulture (Italy): interlayer content |
|
appraisal by a multi-methodic approach |
|
Locality: Mt. Vulture, Italy |
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Note: Sample LC7_R5 |
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_database_code_amcsd 0018312 |
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5.3269 9.2220 10.1290 90 100.027 90 C2/m |
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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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K 0 .5 0 .0278 .0262 .0242 .0331 0 .0053 0 |
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MgM1 0 0 .5 .7154 .0098 .0089 .0069 .0140 0 .0035 0 |
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FeM1 0 0 .5 .2846 .0098 .0089 .0069 .0140 0 .0035 0 |
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MgM2 0 .34366 .5 .5922 .0112 .0073 .0131 .0130 0 .0013 0 |
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FeM2 0 .34366 .5 .4078 .0112 .0073 .0131 .0130 0 .0013 0 |
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Si .07316 .16730 .22292 .0094 .0087 .0078 .0117 0 .0016 .0002 |
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O1 .3256 .2285 .1652 .0190 .0177 .0219 .0177 -.0058 .0043 -.0030 |
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O2 .0112 0 .1673 .0197 .0273 .0129 .0174 0 0 0 |
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O3 .1300 .16904 .39149 .0103 .0103 .0091 .0113 -.0004 .0014 -.0004 |
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O4 .1359 .5 .4010 .0117 .0123 .0110 .0119 0 .0028 0 |
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H .09 .5 .312 .120 .0117 .0123 .0110 .0119 0 .0028 0 |
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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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|   |
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Sazhinite-(La) |
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Camara F, Ottolini L, Devouard B, Garvie L A J, Hawthorne F C |
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Mineralogical Magazine 70 (2006) 405-418 |
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Sazhinite-(La), Na3LaSi6O15(H2O)2, a new mineral from the |
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Aris phonolite, Nambia: description and crystal structure |
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Locality: Aris phonolite, Nambia |
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_database_code_amcsd 0014578 |
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7.415 15.515 7.164 90 90 90 Pmm2 |
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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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Na1 .5 .2550 .0622 .036 .018 .038 .051 -.022 0 0 |
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Na2 .2209 .5 .9298 .068 .055 .112 .037 0 -.024 0 |
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Na3 .2585 .0745 .2553 .5 .037 |
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LaM 0 .2602 .049 .41 .007 .009 .007 .006 -.001 0 0 |
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CeM 0 .2602 .049 .35 .007 .009 .007 .006 -.001 0 0 |
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NdM 0 .2602 .049 .04 .007 .009 .007 .006 -.001 0 0 |
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PrM 0 .2602 .049 .02 .007 .009 .007 .006 -.001 0 0 |
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ThM 0 .2602 .049 .09 .007 .009 .007 .006 -.001 0 0 |
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CaM 0 .2602 .049 .08 .007 .009 .007 .006 -.001 0 0 |
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Si1 .2923 .0988 .7992 .99 .007 .006 .007 .007 -.001 -.001 .002 |
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S1 .2923 .0988 .7992 .01 .007 .006 .007 .007 -.001 -.001 .002 |
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Si2 .2937 .4018 .3404 .99 .011 .007 .009 .015 -.001 -.001 -.002 |
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S2 .2937 .4018 .3404 .01 .011 .007 .009 .015 -.001 -.001 -.002 |
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Si3 0 .1661 .5415 .99 .007 .006 .008 .007 0 0 0 |
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S3 0 .1661 .5415 .01 .007 .006 .008 .007 0 0 0 |
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Si4 0 .3609 .6395 .99 .008 .008 .009 .007 .002 0 0 |
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S4 0 .3609 .6395 .01 .008 .008 .009 .007 .002 0 0 |
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O1 .2614 0 .8691 .014 .015 .012 .015 0 .003 0 |
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O2 .2477 .3357 .1810 .029 .027 .019 .042 -.015 -.007 -.004 |
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O3 .2428 .1635 .9606 .015 .015 .015 .014 -.007 -.001 .003 |
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O4 .1769 .1128 .6089 .016 .014 .019 .015 -.002 -.005 .008 |
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O5 .1768 .3915 .5307 .029 .017 .035 .036 .012 .016 -.006 |
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O6 .2648 .5 .2635 .016 .022 .009 .017 0 -.002 0 |
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O7 0 .1760 .3234 .014 .023 .016 .004 .003 0 0 |
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O8 0 .2556 .6594 .017 .027 .008 .017 -.001 0 0 |
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O9 0 .3932 .8484 .028 .057 .017 .009 -.002 0 0 |
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O10 .5 .1084 .7316 .014 .001 .016 .026 .005 0 0 |
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O11 .5 .3936 .4151 .019 .010 .024 .025 .005 0 0 |
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Wat12 .5 .3873 .8318 .040 |
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Wat13 0 0 .2010 .5 .066 |
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Wat14 .4210 .1068 .2800 .5 .074 |
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|
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|
|   |
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