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Chloritoid |
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Koch-Muller M, Abs-Wurmbach I, Langer K, Shaw C, Wirth R, Gottschalk M |
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European Journal of Mineralogy 12 (2000) 293-314 |
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Synthetic and natural Fe-Mg chloritoid: structural, spectroscopic and |
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thermodynamic studies |
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Sample: MKM-97-4 |
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_database_code_amcsd 0006828 |
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9.467 5.466 9.140 96.67 101.04 90.0 C-1 |
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atom x y z occ |
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AlM1A .25 .25 0 .9825 |
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FeM1A .25 .25 0 .0175 |
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AlM2A 0 .5 .5 |
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FeM1B .0882 .7501 .0048 .51 |
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MgM1B .0882 .7501 .0048 .485 |
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AlM2B1 .25 .25 .5 |
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AlM2B2 .25 .75 .5 |
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SiT .4748 .4409 .3183 |
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OH1A .1028 .4188 .0880 |
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OH1B .2621 .9311 .0910 |
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O1C .4336 .4438 .1335 |
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O2A .3849 .2306 .3808 |
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O2B .3961 .6682 .4015 |
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O2C .1304 .0055 .4237 |
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O2D .1446 .4775 .3495 |
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Chloritoid |
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Koch-Muller M, Abs-Wurmbach I, Langer K, Shaw C, Wirth R, Gottschalk M |
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European Journal of Mineralogy 12 (2000) 293-314 |
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Synthetic and natural Fe-Mg chloritoid: structural, spectroscopic and |
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thermodynamic studies |
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Sample: RO2 |
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_database_code_amcsd 0006829 |
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9.451 5.4674 18.159 90 101.4 90 C2/c |
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atom x y z occ |
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AlM1A .25 .25 0 .985 |
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FeM1A .25 .25 0 .015 |
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AlM2A 0 .4261 .25 |
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FeM1B .0850 .7401 .0034 .43 |
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MgM1B .0850 .7401 .0034 .56 |
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AlM2B1 .2533 .6524 .2485 |
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SiT .4669 .4036 .1602 |
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OH1A .1146 .3987 .0540 |
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OH1B .2616 .9346 .0461 |
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O1C .4321 .4135 .0681 |
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O2A .3966 .1689 .1963 |
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O2B .3970 .6382 .1965 |
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O2C .1418 .8910 .1915 |
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O2D .1481 .4145 .1990 |
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Grossular |
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Arni R, Langer K, Tillmanns E |
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Physics and Chemistry of Minerals 12 (1985) 279-282 |
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Mn3+ in garnets III. Absence of Jahn-Teller distortion |
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in synthetic Mn3+ -bearing garnet |
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_database_code_amcsd 0007369 |
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11.867 11.867 11.867 90 90 90 Ia3d |
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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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CaX .125 0 .25 .81 .0051 .0091 .0091 0 0 .0030 |
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MnX .125 0 .25 .19 .0051 .0091 .0091 0 0 .0030 |
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AlY 0 0 0 .64 .0047 .0047 .0047 .0001 .0001 .0001 |
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MnY 0 0 0 .36 .0047 .0047 .0047 .0001 .0001 .0001 |
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Si .375 0 .25 .0082 .0073 .0073 0 0 0 |
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O .0374 .0470 .6532 .009 .008 .009 .0010 .0005 .0001 |
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Aegirine |
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Ghose S, Kersten M, Langer K, Rossi G, Ungaretti L |
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Physics and Chemistry of Minerals 13 (1986) 291-305 |
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Crystal field spectra and Jahn Teller effect of Mn3+ |
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in clinopyroxene and clinoamphiboles from India |
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Note: variety blanfordite |
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_database_code_amcsd 0007425 |
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9.6787 8.8394 5.2755 90 106.903 90 C2/c |
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atom x y z occ Biso |
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CaM2 0 .30020 .25 .34 .85 |
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NaM2 0 .30020 .25 .66 .85 |
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AlM1 0 .90098 .25 .02 .45 |
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TiM1 0 .90098 .25 .01 .45 |
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FeM1 0 .90098 .25 .52 .45 |
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MnM1 0 .90098 .25 .09 .45 |
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MgM1 0 .90098 .25 .36 .45 |
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Al .28911 .09109 .23338 .005 .35 |
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Si .28911 .09109 .23338 .995 .35 |
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O1 .11465 .08185 .13927 .59 |
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O2 .35967 .25376 .30926 .69 |
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O3 .35132 .01229 .00546 .59 |
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| Download AMC data (View Text File)
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Winchite |
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Ghose S, Kersten M, Langer K, Rossi G, Ungaretti L |
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Physics and Chemistry of Minerals 13 (1986) 291-305 |
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Crystal field spectra and Jahn Teller effect of Mn3+ |
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in clinopyroxene and clinoamphiboles from India |
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_database_code_amcsd 0007426 |
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9.7573 17.9026 5.2886 90 103.814 90 C2/m |
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atom x y z occ Biso |
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NaA 0 .5 0 .17 3.95 |
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KA 0 .5 0 .057 3.95 |
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NaAM .0465 .5 .1032 .085 2.49 |
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KAM .0465 .5 .1032 .028 2.49 |
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NaA2 0 .4618 0 .085 2.18 |
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KA2 0 .4618 0 .028 2.18 |
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MgM1 0 .08844 .5 .935 .49 |
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AlM1 0 .08844 .5 .065 .49 |
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MgM2 0 .18107 0 .315 .42 |
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FeM2 0 .18107 0 .655 .42 |
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MnM2 0 .18107 0 .03 .42 |
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MgM3 0 0 0 .87 .44 |
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LiM3 0 0 0 .13 .44 |
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CaM4 0 .27686 .5 .135 1.01 |
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NaM4 0 .27686 .5 .865 1.01 |
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SiT1 .28098 .08571 .29319 .9875 .36 |
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AlT1 .28098 .08571 .29319 .0125 .36 |
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SiT2 .28881 .17130 .80189 .9875 .36 |
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AlT2 .28881 .17130 .80189 .0125 .36 |
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O1 .11121 .08809 .21343 .50 |
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O2 .11810 .16971 .73248 .53 |
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O3 .10901 0 .70951 .49 |
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O4 .36341 .25030 .79915 .74 |
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O5 .34935 .13018 .08530 .70 |
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O6 .34224 .11969 .58283 .66 |
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O7 .33651 0 .29600 .77 |
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H .1844 0 .7457 2.07 |
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Magnesio-arfvedsonite |
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Ghose S, Kersten M, Langer K, Rossi G, Ungaretti L |
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Physics and Chemistry of Minerals 13 (1986) 291-305 |
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Crystal field spectra and Jahn Teller effect of Mn3+ |
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in clinopyroxene and clinoamphiboles from India |
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Note: designated as juddite in the paper |
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_database_code_amcsd 0007427 |
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9.7624 17.9136 5.2874 90 103.837 90 C2/m |
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atom x y z occ Biso |
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NaA2 0 .5 0 .04 3.99 |
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KA2 0 .5 0 .155 3.99 |
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NaAM .0443 .5 .0996 .02 2.50 |
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KAM .0443 .5 .0996 .0775 2.50 |
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MgM1 0 .08699 .5 .875 .67 |
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FeM1 0 .08699 .5 .045 .67 |
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TiM1 0 .08699 .5 .05 .67 |
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AlM1 0 .08699 .5 .03 .67 |
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MgM2 0 .18053 0 .46 .51 |
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MnM2 0 .18053 0 .2 .51 |
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FeM2 0 .18053 0 .34 .51 |
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MgM3 0 0 0 .82 .53 |
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LiM3 0 0 0 .18 .53 |
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CaM4 0 .27410 .5 .07 1.09 |
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NaM4 0 .27410 .5 .43 1.09 |
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CaM4' 0 .2489 .5 .07 .69 |
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NaM4' 0 .2489 .5 .43 .69 |
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SiT1 .28078 .08552 .29162 .9875 .42 |
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AlT1 .28078 .08552 .29162 .0112 .42 |
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SiT2 .28930 .17117 .79927 .9875 .44 |
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AlT2 .28930 .17117 .79927 .0112 .44 |
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O1 .11125 .08788 .21377 .56 |
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O2 .11866 .16982 .72919 .65 |
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O3 .10876 0 .70755 .60 |
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O4 .36438 .24974 .79558 .91 |
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O5 .34879 .13003 .08367 .77 |
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O6 .34302 .11947 .58097 .79 |
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O7 .33709 0 .29434 .89 |
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H .1604 0 .7369 3.87 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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