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Eskolaite |
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Logvinova A M, Wirth R, Sobolev N V, Seryotkin Y V, Yefimova E S, Floss C, Taylor L A |
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American Mineralogist 93 (2008) 685-690 |
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Eskolaite associated with diamond from the Udachnaya kimberlite pipe, Yakutia, Russia |
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Locality: natural diamond, Udachnaya pipe, Yukutia, Russia |
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_database_code_amcsd 0004566 |
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4.9696 4.9696 13.597 90 90 120 R-3c |
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atom x y z occ Uiso |
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Cr 0 0 .34834 .851 .0031 |
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Fe 0 0 .34834 .061 .0031 |
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Ti 0 0 .34834 .038 .0031 |
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Al 0 0 .34834 .029 .0031 |
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Mg 0 0 .34834 .021 .0031 |
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O .3055 0 .25 .0047 |
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Mg2GeO4 |
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Thomas S M, Muller M K, Kahlenberg V, Thomas R, Rhede D, Wirth R, Wunder B |
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American Mineralogist 93 (2008) 1282-1294 |
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Protonation in germanium equivalents of ringwoodite, anhydrous phase B, |
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and superhydrous phase B |
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Note: Ge-ringwoodite |
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_database_code_amcsd 0004619 |
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8.246 8.246 8.246 90 90 90 *Fd-3m |
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.125 .125 .125 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg 0 0 0 .021 .021 .021 .021 -.001 -.001 -.001 |
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Ge .125 .125 .625 .020 .020 .020 .020 0 0 0 |
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O .0002 .0002 .7498 .022 .022 .022 .022 -.002 -.002 .002 |
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Mg14Ge5O24 |
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Thomas S M, Muller M K, Kahlenberg V, Thomas R, Rhede D, Wirth R, Wunder B |
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American Mineralogist 93 (2008) 1282-1294 |
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Protonation in germanium equivalents of ringwoodite, anhydrous phase B, |
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and superhydrous phase B |
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Note: Ge-anhydrous phase B |
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_database_code_amcsd 0004620 |
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14.52 10.231 5.947 90 90 90 Pbam |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Mg1 0 .5 .5 .006 .009 .003 .006 .002 0 0 |
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Mg2 0 0 .5 .005 .006 .007 .003 .001 0 0 |
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Mg3 .1757 .1781 0 .006 .005 .006 .007 -.001 0 0 |
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Mg4 .3260 .1463 .5 .006 .005 .004 .008 .001 0 0 |
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Mg5 -.0044 .2517 .2423 .005 .006 .005 .004 0 0 0 |
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Mg6 .3316 .4190 .2461 .006 .005 .007 .006 0 .001 .001 |
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Ge1 0 0 0 .004 .005 .003 .005 0 0 0 |
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Ge2 .1256 .5016 0 .004 .004 .004 .005 0 0 0 |
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Ge3 .1863 .3250 .5 .006 .006 .006 .006 .001 0 0 |
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O1 .0836 .3380 0 .006 .009 .004 .006 -.001 0 0 |
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O2 .4218 .3481 0 .004 .005 .003 .005 -.001 0 0 |
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O3 .2518 .0031 0 .007 .009 .005 .007 .001 0 0 |
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O4 .0686 .3299 .5 .005 .005 .005 .005 -.002 0 0 |
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O5 .4131 .3314 .5 .007 .005 .008 .009 0 0 0 |
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O6 .2565 -.0220 .5 .006 .005 .005 .009 -.001 0 0 |
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O7 .0756 .0774 .2235 .005 .006 .005 .004 0 -.001 .001 |
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O8 .4145 .0812 .2485 .005 .006 .007 .003 -.002 -.001 -.003 |
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O9 .2427 .2509 .2723 .006 .006 .007 .006 0 .001 0 |
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Mg10Ge3O14[OH]4 |
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Thomas S M, Muller M K, Kahlenberg V, Thomas R, Rhede D, Wirth R, Wunder B |
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American Mineralogist 93 (2008) 1282-1294 |
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Protonation in germanium equivalents of ringwoodite, anhydrous phase B, |
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and superhydrous phase B |
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Locality: synthetic |
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Note: superhydrous phase B Ge-ringwoodite |
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Note: published bond lengths could not be reproduced |
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_database_code_amcsd 0004621 |
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14.202 5.1676 8.8756 90 90 90 Pnn2 |
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atom x y z |
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Mg1 .174 .332 -.086 |
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Mg2A .174 .862 .086 |
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Mg2B .323 .334 .234 |
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Mg3A 0 .5 .732 |
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Mg3B 0 .5 .089 |
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Mg4A 0 0 .567 |
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Mg4B 0 0 .234 |
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Ge1 0 0 -.096 |
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Ge2 .377 .012 -.092 |
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O1 .413 .680 .893 |
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O2 .085 .685 -.113 |
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O6 .253 .019 -.078 |
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O3A .257 .006 .244 |
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O3B .263 .506 .057 |
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O4A .067 .142 .068 |
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O4B .419 .647 .268 |
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O5A .408 .163 .069 |
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O5B .077 .695 .234 |
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H1 .300 .600 .100 |
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H2 .270 .180 .310 |
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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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Sursassite |
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Gottschalk M, Fockenberg T, Grevel K-D, Wunder B, Wirth R, Schreyer W, Maresch W V |
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European Journal of Mineralogy 12 (2000) 935-945 |
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Crystal structure of the high-pressure phase Mg4(MgAl)Al4[Si6O21/(OH)7]: |
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an analogue of sursassite |
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Sample: A53 |
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_database_code_amcsd 0006842 |
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8.5424 5.7117 9.6484 90 108.298 90 P2_1/m |
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atom x y z occ Uiso |
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MgM1 .1804 1/4 .3154 .005 |
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MgM2 .2765 1/4 .6718 .006 |
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AlM3 1/2 0 1/2 .58 .018 |
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MgM3 1/2 0 1/2 .42 .018 |
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AlM4 1/2 0 0 .005 |
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AlM5 0 0 0 .004 |
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SiT1 .3060 3/4 .1948 .0112 |
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SiT2 .2068 3/4 .8067 .0112 |
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SiT3 .1492 3/4 .4930 .0112 |
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O1 .251 .508 .498 .0054 |
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O2 .1898 .522 .1707 .0054 |
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O3 .3160 .514 .8243 .0054 |
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O4 .407 3/4 .0765 .0054 |
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O5 .457 3/4 .3586 .0054 |
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O6 .089 1/4 .9279 .0054 |
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O7 .442 1/4 .3632 .0054 |
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O8 .080 3/4 .8997 .0054 |
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O9 .076 3/4 .6357 .0054 |
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O10 -.026 3/4 .3549 .0054 |
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O11 .402 1/4 .0663 .0054 |
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H1 .145 1/4 .034 .01 |
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H2 .361 1/4 .263 .42 .01 |
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H3 -.107 3/4 .257 .01 |
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H4 .480 1/4 .166 .01 |
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Chloritoid |
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Koch-Muller M, Kahlenberg V, Schmidt C, Wirth R |
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Physics and Chemistry of Minerals 27 (2000) 703-712 |
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Location of OH groups and oxidation processes in triclinic chloritoid |
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_database_code_amcsd 0008491 |
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5.4744 5.4766 9.1505 83.53 76.68 60.06 P-1 |
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atom x y z occ Uiso |
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AlM1A 0 0 0 .844 .009 |
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FeM1A 0 0 0 .156 .009 |
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AlM2A 0 .5 .5 .004 |
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FeM1B .3304 -.6622 -.0012 .3505 .009 |
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MnM1B .3304 -.6622 -.0012 .3505 .009 |
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MgM1B .3304 -.6622 -.0012 .299 .009 |
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AlM2B1 0 0 .5 .004 |
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AlM2B2 .5 .5 .5 .005 |
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SiT .4272 -.0001 -.3127 .005 |
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O1A .0284 -.3046 -.1065 .012 |
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H1A .0284 -.3046 -.1065 .012 |
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O1B .7234 -.6954 -.1012 .013 |
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H1B .7234 -.6954 -.1012 .013 |
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O1C .3529 .0013 -.1280 .009 |
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O2A .1263 .1619 -.3760 .005 |
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O2B .6151 -.3252 -.3756 .004 |
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O2C .6142 -.8373 -.3747 .004 |
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O2D .1300 -.3325 -.4042 .005 |
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Superhydrous Phase B |
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Koch-Muller M, Dera P, Fei Y, Hellwig H, Liu Z, Van Orman J, Wirth R |
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Physics and Chemistry of Minerals 32 (2005) 349-361 |
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Polymorphic phase transition in Superhydrous Phase B |
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Sample: MKM0105 |
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Note: z(O6) corrected by authors |
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_database_code_amcsd 0008972 |
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14.024 5.109 8.733 90 90 90 Pnn2 |
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atom x y z |
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Mg1 .1731 .3279 .0053 |
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Mg2A .1775 .8358 .1752 |
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Mg2B .3240 .3461 .3242 |
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Mg3A 0 .5000 .8286 |
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Mg3B 0 .5000 .1870 |
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Mg4A 0 0 .6625 |
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Mg4B 0 0 .3455 |
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Si1 0 0 .0077 |
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Si2 .3766 .0141 .0051 |
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O1 .4153 .7088 .9936 |
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O2 .0783 .6931 .0050 |
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O3A .2495 .0220 .3451 |
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O3B .2552 .5120 .1620 |
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O4A .0760 .1440 .1531 |
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O4B .4298 .6470 .3619 |
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O5A .4145 .1530 .1599 |
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O5B .0889 .6850 .3479 |
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O6 .2598 .0048 .0070 |
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H1 .3 .6 .1 |
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H2 .27 .18 .45 |
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|
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Superhydrous Phase B |
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Koch-Muller M, Dera P, Fei Y, Hellwig H, Liu Z, Van Orman J, Wirth R |
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Physics and Chemistry of Minerals 32 (2005) 349-361 |
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Polymorphic phase transition in Superhydrous Phase B |
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Sample: JIM252 |
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_database_code_amcsd 0008973 |
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13.991 5.097 8.715 90 90 90 Pnnm |
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atom x y z occ |
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Mg1 .1729 .3301 0 .82 |
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Ni1 .1729 .3301 0 .18 |
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Mg2 .1758 .8410 .1756 .82 |
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Ni2 .1758 .8410 .1756 .18 |
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Mg3 0 0 .3413 .82 |
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Ni3 0 0 .3413 .18 |
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Mg4 0 .5000 .1776 .82 |
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Ni4 0 .5000 .1776 .18 |
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Si1 0 0 0 |
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Si2 .3765 .0144 0 |
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O1 .2519 .5149 .1579 |
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O2 .4152 .7103 0 |
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O3 .0787 .6993 0 |
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O4 .0731 .1428 .1452 |
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O5 .4134 .1672 .1555 |
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O6 .2577 .0051 0 |
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D1 .3 .6 .1 .8 |
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H1 .3 .6 .1 .2 |
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|
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View JMOL 3-D Structure
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