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Mg8(Mg2Al2)Al8Si12(O,OH)56 |
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Artioli G, Fumagalli P, Poli S |
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American Mineralogist 84 (1999) 1906-1914 |
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The crystal structure of Mg8(Mg2Al2)Al8Si12(O,OH)56 pumpellyite and its |
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relevance in ultramafic systems at high pressure |
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_database_code_amcsd 0002335 |
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8.5758 5.7295 18.5376 90 97.691 90 P2_1/m |
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atom x y z occ Uiso |
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Mg1 .294 .75 .582 .095 |
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Mg2 .225 .75 .410 .095 |
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Mg3 .731 .75 .909 .095 |
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Mg4 .818 .75 .084 .095 |
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MgX1 0 .5 .5 .71 .095 |
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MgX2 0 .5 0 .05 .095 |
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AlX1 .5 .5 .5 .14 .095 |
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AlX2 .5 .5 0 .87 .095 |
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AlY1 .262 .514 .752 .095 |
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AlY2 .749 .501 .746 .095 |
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Si1 .042 .25 .345 .104 |
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Si2 .122 .25 .501 .25 .104 |
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Si2b .360 .25 .495 .75 .104 |
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Si3 .438 .25 .650 .104 |
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Si4 .947 .25 .157 .104 |
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Si5 .849 .25 .999 .104 |
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Si6 .545 .25 .853 .104 |
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O1 .121 .512 .332 .087 |
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O2 .249 .477 .497 .087 |
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O3 .357 .507 .662 .087 |
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O4 .121 .75 .714 .087 |
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O5 .128 .25 .707 .087 |
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O6 .384 .75 .301 .087 |
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O7 .388 .25 .290 .087 |
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O8 .980 .25 .427 .087 |
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O9 .501 .75 .432 .087 |
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O10 .020 .25 .575 .087 |
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O11 .532 .75 .572 .087 |
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O12 .841 .491 .160 .087 |
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O13 .739 .486 .997 .087 |
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O14 .664 .466 .837 .087 |
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O15 .868 .75 .802 .087 |
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O16 .888 .25 .789 .087 |
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O17 .613 .75 .208 .087 |
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O18 .594 .25 .224 .087 |
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O19 .989 .25 .072 .087 |
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O20 .543 .75 .071 .087 |
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O21 .935 .25 .923 .087 |
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O22 .491 .75 .932 .087 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Phlogopite |
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Comodi P, Fumagalli P, Montagnoli M, Zanazzi P F |
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American Mineralogist 89 (2004) 647-653 |
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A single-crystal study on the pressure behavior of phlogopite |
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and petrological implications |
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P = 0.0001 GPa |
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_database_code_amcsd 0003534 |
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5.337 9.240 10.237 90 100.02 90 C2/m |
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atom x y z occ Uiso |
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K 0 0 0 .91 .030 |
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Ba 0 0 0 .03 .030 |
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Na 0 0 0 .02 .030 |
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SiT .5743 .1671 .225 .68 .0068 |
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AlT .5743 .1671 .225 .32 .0068 |
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MgM1 0 1/2 1/2 .72 .0068 |
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FeM1 0 1/2 1/2 .28 .0068 |
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MgM2 0 .8352 1/2 .73 .0045 |
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FeM2 0 .8352 1/2 .27 .0045 |
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O1 .831 .2264 .169 .021 |
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O2 .507 0 .167 .023 |
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O3 .631 .1674 .393 .004 |
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O4 .129 0 .389 .05 .009 |
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F4 .129 0 .389 .09 .009 |
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OH4 .129 0 .389 .86 .009 |
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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 |
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Comodi P, Fumagalli P, Montagnoli M, Zanazzi P F |
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American Mineralogist 89 (2004) 647-653 |
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A single-crystal study on the pressure behavior of phlogopite |
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and petrological implications |
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P = 1.2 GPa |
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_database_code_amcsd 0003535 |
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5.318 9.210 10.10 90 100.12 90 C2/m |
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atom x y z occ Uiso |
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K 0 0 0 .91 .024 |
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Ba 0 0 0 .03 .024 |
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Na 0 0 0 .02 .024 |
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SiT .5747 .1668 .223 .68 .0130 |
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AlT .5747 .1668 .223 .32 .0130 |
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MgM1 0 1/2 1/2 .72 .0122 |
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FeM1 0 1/2 1/2 .28 .0122 |
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MgM2 0 .8361 1/2 .73 .0126 |
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FeM2 0 .8361 1/2 .27 .0126 |
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O1 .834 .2232 .169 .024 |
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O2 .502 0 .167 .025 |
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O3 .630 .1663 .391 .020 |
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O4 .128 0 .391 .05 .021 |
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F4 .128 0 .391 .09 .021 |
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OH4 .128 0 .391 .86 .021 |
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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 |
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Comodi P, Fumagalli P, Montagnoli M, Zanazzi P F |
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American Mineralogist 89 (2004) 647-653 |
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A single-crystal study on the pressure behavior of phlogopite |
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and petrological implications |
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P = 3.2 GPa |
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_database_code_amcsd 0003536 |
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5.291 9.160 9.90 90 100.3 90 C2/m |
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atom x y z occ Uiso |
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K 0 0 0 .91 .017 |
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Ba 0 0 0 .03 .017 |
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Na 0 0 0 .02 .017 |
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SiT .5725 .1672 .2177 .68 .0071 |
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AlT .5725 .1672 .2177 .32 .0071 |
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MgM1 0 1/2 1/2 .72 .0062 |
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FeM1 0 1/2 1/2 .28 .0062 |
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MgM2 0 .8365 1/2 .73 .0066 |
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FeM2 0 .8365 1/2 .27 .0066 |
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O1 .834 .2208 .160 .017 |
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O2 .494 0 .158 .016 |
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O3 .630 .1670 .391 .008 |
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O4 .126 0 .383 .05 .016 |
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F4 .126 0 .383 .09 .016 |
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OH4 .126 0 .383 .86 .016 |
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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 |
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Comodi P, Fumagalli P, Montagnoli M, Zanazzi P F |
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American Mineralogist 89 (2004) 647-653 |
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A single-crystal study on the pressure behavior of phlogopite |
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and petrological implications |
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P = 5.0 GPa |
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_database_code_amcsd 0003537 |
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5.271 9.130 9.78 90 100.3 90 C2/m |
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atom x y z occ Uiso |
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K 0 0 0 .91 .0179 |
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Ba 0 0 0 .03 .0179 |
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Na 0 0 0 .02 .0179 |
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SiT .5715 .1673 .2151 .68 .0108 |
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AlT .5715 .1673 .2151 .32 .0108 |
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MgM1 0 1/2 1/2 .72 .0085 |
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FeM1 0 1/2 1/2 .28 .0085 |
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MgM2 0 .8366 1/2 .73 .0100 |
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FeM2 0 .8366 1/2 .27 .0100 |
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O1 .834 .2134 .158 .021 |
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O2 .490 0 .156 .022 |
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O3 .629 .1675 .388 .013 |
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O4 .128 0 .387 .05 .014 |
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F4 .128 0 .387 .09 .014 |
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OH4 .128 0 .387 .86 .014 |
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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 |
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Comodi P, Fumagalli P, Montagnoli M, Zanazzi P F |
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American Mineralogist 89 (2004) 647-653 |
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A single-crystal study on the pressure behavior of phlogopite |
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and petrological implications |
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P = 6.0 GPa |
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_database_code_amcsd 0003538 |
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5.256 9.105 9.71 90 100.4 90 C2/m |
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atom x y z occ Uiso |
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K 0 0 0 .91 .0141 |
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Ba 0 0 0 .03 .0141 |
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Na 0 0 0 .02 .0141 |
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SiT .5720 .1668 .2160 .68 .0079 |
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AlT .5720 .1668 .2160 .32 .0079 |
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MgM1 0 1/2 1/2 .72 .0072 |
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FeM1 0 1/2 1/2 .28 .0072 |
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MgM2 0 .8369 1/2 .73 .0074 |
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FeM2 0 .8369 1/2 .27 .0074 |
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O1 .834 .2196 .154 .019 |
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O2 .488 0 .152 .019 |
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O3 .6317 .1674 .393 .011 |
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O4 .128 0 .387 .05 .010 |
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F4 .128 0 .387 .09 .010 |
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OH4 .128 0 .387 .86 .010 |
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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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Mg3Si4O10(OH)2*H2O |
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Comodi P, Fumagalli P, Nazzareni S, Zanazzi P F |
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American Mineralogist 90 (2005) 1012-1016 |
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The 10 A phase: Crystal structure from single-crystal X-ray data |
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_database_code_amcsd 0003790 |
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5.323 9.203 10.216 90 99.98 90 C2/m |
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atom x y z Uiso |
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Mg1 0 .5 .5 .018 |
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Mg2 0 .8335 .5 .020 |
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Si .5768 .1666 .2305 .018 |
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O1 .8089 .2487 .1751 .022 |
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O2 .5571 0 .1755 .021 |
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O3 .6291 .1674 .3901 .015 |
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OH4 .1325 0 .3947 .016 |
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Wat5 0 0 0 .099 |
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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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