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Na(NaMg)Mg5Si8O22(OH)2 |
| |
Iezzi G, Della Ventura G, Oberti R, Camara F, Holtz F |
 |
American Mineralogist 89 (2004) 640-646 |
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Synthesis and crystal-chemistry of Na(NaMg)Mg5Si8O22(OH)2, a P2_1/m amphibole |
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_database_code_amcsd 0003533 |
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9.689 17.938 5.268 90 102.50 90 P2_1/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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NaA .2654 .25 .0462 3.56 .0063 .0038 .0413 0 .0130 0 |
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MgM1 -.2499 .3382 .4850 .65 .0022 .0004 .0064 .0000 .0011 -.0001 |
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MgM2 -.2503 .4295 .9842 .66 .0021 .0004 .0070 .0000 .0013 .0002 |
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MgM3 -.2494 .25 .9859 .62 .0023 .0004 .0053 0 .0011 0 |
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NaM4 -.2461 .5054 .4840 .5 .84 .0026 .0006 .0091 .0001 .0028 .0005 |
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MgM4 -.2461 .5054 .4840 .5 .84 .0026 .0006 .0091 .0001 .0028 .0005 |
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SiT1A .0324 .3355 .2619 .54 .0017 .0003 .0052 .0000 .0007 .0000 |
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SiT1B .5321 .8346 .2949 .52 .0017 .0004 .0047 .0000 .0009 .0001 |
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SiT2A .0408 .4214 .7677 .53 .0017 .0003 .0053 -.0001 .0007 .0000 |
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SiT2B .5439 .9195 .7989 .67 .0021 .0005 .0056 -.0003 .0006 .0001 |
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O1A -.1369 .3368 .1973 .58 .0017 .0003 .0069 .0002 .0011 -.0002 |
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O1B .3629 .8366 .2255 .57 .0021 .0004 .0047 -.0003 .0010 .0001 |
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O2A -.1302 .4217 .7018 .77 .0019 .0008 .0061 .0000 .0010 -.0003 |
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O2B .3734 .9219 .7355 .72 .0019 .0005 .0085 -.0001 .0014 -.0002 |
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Oh3A -.1394 .25 .6943 .68 .0021 .0005 .0064 0 .0008 0 |
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Oh3B .3577 3/4 .7221 .72 .0019 .0004 .0089 0 .0010 0 |
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O4A .1199 .4993 .7959 1.16 .0046 .0005 .0099 -.0007 -.0005 -.0002 |
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O4B .6258 .9938 .7658 1.80 .0060 .0008 .0159 -.0019 -.0034 .0021 |
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O5A .0969 .3674 .0237 1.00 .0025 .0009 .0092 .0002 .0015 .0012 |
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O5B .6002 .8854 .0969 .97 .0022 .0010 .0085 .0000 .0011 .0013 |
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O6A .0994 .3800 .5277 1.07 .0025 .0010 .0092 .0004 .0006 -.0018 |
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O6B .5934 .8578 .5964 1.07 .0022 .0011 .0087 .0001 .0006 -.0011 |
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O7A .0921 .25 .2998 .94 .0017 .0005 .0156 0 .0016 0 |
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O7B .5905 3/4 .2613 .83 .0023 .0002 .0139 0 .0021 0 |
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H1 -.053 .25 .751 3.28 |
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H2 .566 .25 .241 1.87 |
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Na(NaMg)Mg5Si8O22(OH)2 |
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Iezzi G, Gatta G D, Kockelmann W, Della Ventura G, Rinaldi R, Schafer W, Piccinini M, Gaillard F |
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American Mineralogist 90 (2004) 695-700 |
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Low-T neutron powder-diffraction and synchrotron-radiation IR study of synthetic |
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amphibole Na(NaMg)Mg5Si8O22(OH)2 |
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Sample: T = 298 K |
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_database_code_amcsd 0003767 |
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9.71887 17.93853 5.26923 90 102.526 90 P2_1/m |
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atom x y z occ Uiso |
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NaA .26338 .25 .07195 .83 .0389 |
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MgA .26338 .25 .07195 .07 .0389 |
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Mg1 -.24026 .33930 .49828 .0111 |
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Mg2 -.25348 .43071 .98116 .0111 |
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Mg3 -.25237 .25 .97893 .0111 |
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Mg4 -.25268 .50848 .48420 .37 .0111 |
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Na4 -.25268 .50848 .48420 .31 .0111 |
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Mg4’ -.26475 .52501 .49913 .16 .0111 |
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Na4’ -.26475 .52501 .49913 .13 .0111 |
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Si1A .03422 .33480 .25975 .00243 |
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Si1B .53040 .83483 .29506 .00243 |
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Si2A .03285 .42143 .77063 .00243 |
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Si2B .54682 .91992 .80318 .00243 |
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O1A -.13689 .33642 .19974 .00545 |
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O1B .36433 .83681 .21721 .00545 |
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O2A -.13270 .42159 .70449 .00545 |
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O2B .37237 .92224 .74352 .00545 |
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O3A -.14897 .25 .69317 .00545 |
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O3B .35927 .75 .72024 .00545 |
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O4A .11586 .50067 .79981 .00545 |
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O4B .63000 .99316 .76836 .00545 |
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O5A .09732 .36704 .02195 .00545 |
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O5B .59913 .88482 .09577 .00545 |
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O6A .09833 .37993 .53135 .00545 |
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O6B .59665 .85784 .60458 .00545 |
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O7A .08949 .25 .30087 .00545 |
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O7B .58745 .75 .26427 .00545 |
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H1 -.04703 .25 .75663 .71 .0389 |
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D1 -.04703 .25 .75663 .29 .0389 |
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H2 .53670 .25 .21170 .66 .0389 |
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D2 .53670 .25 .21170 .34 .0389 |
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Na(NaMg)Mg5Si8O22(OH)2 |
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Iezzi G, Gatta G D, Kockelmann W, Della Ventura G, Rinaldi R, Schafer W, Piccinini M, Gaillard F |
| |
American Mineralogist 90 (2004) 695-700 |
|
Low-T neutron powder-diffraction and synchrotron-radiation IR study of synthetic |
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amphibole Na(NaMg)Mg5Si8O22(OH)2 |
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Sample: T = 8 K |
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_database_code_amcsd 0003768 |
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9.70169 17.89537 5.25744 90 102.597 90 P2_1/m |
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atom x y z occ Uiso |
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NaA .26461 .25 .06038 .83 .00688 |
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MgA .26461 .25 .06038 .07 .00688 |
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Mg1 -.24280 .33860 .48952 .00688 |
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Mg2 -.25451 .43158 .97520 .00688 |
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Mg3 -.25442 .25 .95277 .00688 |
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Mg4 -.24565 .50741 .48160 .37 .00688 |
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Na4 -.24565 .50741 .48160 .31 .00688 |
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Mg4’ -.27291 .52696 .50151 .16 .00688 |
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Na4’ -.27291 .52696 .50151 .13 .00688 |
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Si1A .03609 .33535 .25812 .00328 |
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Si1B .53071 .83565 .30186 .00328 |
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Si2A .03892 .42099 .76004 .00328 |
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Si2B .54552 .91791 .80965 .00328 |
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O1A -.13735 .33691 .19646 .00357 |
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O1B .36675 .83608 .22068 .00357 |
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O2A -.13335 .42242 .70321 .00357 |
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O2B .37525 .91974 .74919 .00357 |
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O3A -.15111 .25 .70244 .00357 |
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O3B .35997 .75 .71712 .00357 |
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O4A .11908 .49933 .80839 .00357 |
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O4B .63160 .99345 .77154 .00357 |
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O5A .09694 .36393 .01295 .00357 |
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O5B .60373 .88605 .10438 .00357 |
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O6A .09837 .38166 .52814 .00357 |
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O6B .59421 .85628 .61049 .00357 |
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O7A .08616 .25 .30292 .00357 |
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O7B .58935 .75 .26556 .00357 |
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H1 -.04591 .25 .75809 .71 .00688 |
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D1 -.04591 .25 .75809 .29 .00688 |
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H2 .53612 .25 .21111 .66 .00688 |
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D2 .53612 .25 .21111 .34 .00688 |
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|
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Parvo-mangano-edenite |
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Oberti R, Camara F, Della Ventura G, Iezzi G, Benimoff A I |
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American Mineralogist 91 (2006) 526-532 |
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Parvo-mangano-edenite, parvo-manganotremolite, and the solid solution |
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between Ca and Mn2+ at the M4 site in amphiboles |
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Locality: Grenville marble, Arnold open pit, St Lawrence Co, New York, USA |
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Sample: 1103 |
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Note: A and B occupancies invented to match formula |
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_database_code_amcsd 0004126 |
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9.8260 18.0487 5.2840 90 104.55 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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NaA 0 .5 0 .10 .89 .0022 .0009 .0060 0 .0001 0 |
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NaAm .043 .5 .103 .14 2.49 .0068 .0020 .0233 0 .0034 0 |
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NaA2 0 .4724 0 .18 2.54 .0065 .0011 .0479 0 .0161 0 |
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KA2 0 .4724 0 .01 2.54 .0065 .0011 .0479 0 .0161 0 |
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CaM4B 0 .2736 .5 .605 1.32 .0028 .0014 .0126 0 .0034 0 |
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MnM4B 0 .2736 .5 .348 1.32 .0028 .0014 .0126 0 .0034 0 |
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CaM4'B 0 .2524 .5 .030 1.01 |
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MnM4'B 0 .2524 .5 .017 1.01 |
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MgM1 0 .0880 .5 .93 .53 .0016 .0003 .0065 0 .0007 0 |
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Mn2+M1 0 .0880 .5 .06 .53 .0016 .0003 .0065 0 .0007 0 |
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Fe2+M1 0 .0880 .5 .01 .53 .0016 .0003 .0065 0 .0007 0 |
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MgM2 0 .1766 0 .895 .55 .0014 .0003 .0070 0 .0007 0 |
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Mn2+M2 0 .1766 0 .075 .55 .0014 .0003 .0070 0 .0007 0 |
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Fe3+M2 0 .1766 0 .015 .55 .0014 .0003 .0070 0 .0007 0 |
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Ti4+M2 0 .1766 0 .005 .55 .0014 .0003 .0070 0 .0007 0 |
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AlM2 0 .1766 0 .005 .55 .0014 .0003 .0070 0 .0007 0 |
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Fe2+M2 0 .1766 0 .005 .55 .0014 .0003 .0070 0 .0007 0 |
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MgM3 0 0 0 .86 .55 .0014 .0003 .0068 0 .0004 0 |
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AlM3 0 0 0 .055 .55 .0014 .0003 .0068 0 .0004 0 |
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Fe2+M3 0 0 0 .01 .55 .0014 .0003 .0068 0 .0004 0 |
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Mn2+M3 0 0 0 .005 .55 .0014 .0003 .0068 0 .0004 0 |
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SiT1 .2815 .0845 .2960 .77 .50 .0010 .0003 .0067 -.0001 .0002 -.0001 |
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AlT1 .2815 .0845 .2960 .23 .50 .0010 .0003 .0067 -.0001 .0002 -.0001 |
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SiT2 .2911 .1713 .8032 .51 .0011 .0003 .0066 -.0001 .0002 .0001 |
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O1 .1105 .0860 .2175 .63 .0014 .0004 .0077 0 .0002 0 |
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O2 .1206 .1723 .7252 .64 .0013 .0004 .0084 0 .0005 .0001 |
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O3 .1091 0 .7156 .67 .0013 .0004 .0091 0 .0003 0 |
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O4 .3688 .2478 .7827 .99 .0027 .0005 .0115 -.0005 .0001 .0002 |
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O5 .3483 .1369 .1000 1.03 .0017 .0010 .0107 0 .0005 .0015 |
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O6 .3449 .1153 .5967 1.08 .0016 .0010 .0124 .0002 .0007 -.0013 |
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O7 .3410 0 .2749 1.06 .0021 .0006 .0161 0 .0009 0 |
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H .188 0 .759 1.36 |
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|
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View JMOL 3-D Structure
|
| |
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Parvo-manganotremolite |
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Oberti R, Camara F, Della Ventura G, Iezzi G, Benimoff A I |
|
American Mineralogist 91 (2006) 526-532 |
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Parvo-mangano-edenite, parvo-manganotremolite, and the solid solution |
|
between Ca and Mn2+ at the M4 site in amphiboles |
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Locality: amphibole, Grenville marble, Arnold open pit, St Lawrence Co, New York, USA |
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Sample: 1104 |
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Note: A and B occupancies invented to match formula |
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_database_code_amcsd 0004127 |
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9.7807 18.0548 5.2928 90 104.19 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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NaA 0 .5 0 .05 1.92 |
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NaAm .043 .5 .106 .105 3.37 .0092 .0022 .0463 0 .0146 0 |
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KAm .043 .5 .106 .005 3.37 .0092 .0022 .0463 0 .0146 0 |
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NaA2 0 .4714 0 .09 2.32 .0054 .0011 .0451 0 .0156 0 |
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CaM4B 0 .2713 .5 .565 1.42 .0028 .0017 .0112 0 .0029 0 |
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MnM4B 0 .2713 .5 .415 1.42 .0028 .0017 .0112 0 .0029 0 |
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NaM4B 0 .2713 .5 .02 1.42 .0028 .0017 .0112 0 .0029 0 |
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MgM1 0 .0878 .5 .94 .59 .0017 .0004 .0059 0 .0005 0 |
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Mn2+M1 0 .0878 .5 .06 .59 .0017 .0004 .0059 0 .0005 0 |
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MgM2 0 .1767 0 .935 .62 .0017 .0004 .0065 0 .0005 0 |
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Mn2+M2 0 .1767 0 .045 .62 .0017 .0004 .0065 0 .0005 0 |
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Fe2+M2 0 .1767 0 .015 .62 .0017 .0004 .0065 0 .0005 0 |
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Fe3+M2 0 .1767 0 .005 .62 .0017 .0004 .0065 0 .0005 0 |
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MgM3 0 0 0 .46 .63 .0017 .0004 .0065 0 .0003 0 |
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AlM3 0 0 0 .03 .63 .0017 .0004 .0065 0 .0003 0 |
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SiT1 .2822 .0843 .2923 .88 .50 .0012 .0003 .0059 -.0001 0 -.0001 |
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AlT1 .2822 .0843 .2923 .12 .50 .0012 .0003 .0059 -.0001 0 -.0001 |
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SiT2 .2913 .1710 .7995 .55 .0013 .0004 .0056 -.0002 0 .0001 |
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O1 .1115 .0859 .2165 .64 .0014 .0005 .0062 0 -.0001 .0001 |
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O2 .1204 .1720 .7239 .69 .0016 .0005 .0076 0 .0006 0 |
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O3 .1103 0 .7147 .65 .0016 .0004 .0075 0 .0002 0 |
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O4 .3691 .2477 .7830 1.03 .0029 .0006 .0107 -.0005 -.0001 .0002 |
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O5 .3482 .1349 .0930 .99 .0018 .0010 .0088 0 .0001 .0011 |
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O6 .3455 .1169 .5880 1.02 .0017 .0010 .0100 0 .0002 -.0011 |
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O7 .3407 0 .2783 1.02 .0020 .0004 .0161 0 .0004 0 |
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H .204 0 .768 2.06 |
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|
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|
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Parvo-mangano-edenite |
| |
Oberti R, Camara F, Della Ventura G, Iezzi G, Benimoff A I |
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American Mineralogist 91 (2006) 526-532 |
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Parvo-mangano-edenite, parvo-manganotremolite, and the solid solution |
|
between Ca and Mn2+ at the M4 site in amphiboles |
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Locality: Grenville marble, Arnold open pit, St Lawrence Co, New York, USA |
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Sample: 1079 |
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Note: A and B occupancies invented to match formula |
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_database_code_amcsd 0004128 |
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9.795 18.047 5.2869 90 104.28 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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NaA 0 .5 0 .07 1.05 .0038 .0001 .0167 0 .0029 0 |
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NaAm .045 .5 .108 .145 3.26 .0108 .0022 .0325 0 .0084 0 |
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NaA2 0 .4731 0 .14 3.17 .0089 .0013 .0582 0 .0205 0 |
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KA2 0 .4731 0 .01 3.17 .0089 .0013 .0582 0 .0205 0 |
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CaM4B 0 .2726 .5 .45 1.39 .0034 .0014 .0124 0 .0034 0 |
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MnM4B 0 .2726 .5 .45 1.39 .0034 .0014 .0124 0 .0034 0 |
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CaM4'B 0 .2583 .5 .05 1.22 |
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MnM4'B 0 .2583 .5 .05 1.22 |
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MgM1 0 .0879 .5 .94 .66 .0021 .0004 .0065 0 .0007 0 |
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Mn2+M1 0 .0879 .5 .055 .66 .0021 .0004 .0065 0 .0007 0 |
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Fe2+M1 0 .0879 .5 .005 .66 .0021 .0004 .0065 0 .0007 0 |
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MgM2 0 .1767 0 .91 .59 .0018 .0003 .0068 0 .0006 0 |
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Mn2+M2 0 .1767 0 .06 .59 .0018 .0003 .0068 0 .0006 0 |
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Fe3+M2 0 .1767 0 .01 .59 .0018 .0003 .0068 0 .0006 0 |
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AlM2 0 .1767 0 .01 .59 .0018 .0003 .0068 0 .0006 0 |
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Ti4+M2 0 .1767 0 .005 .59 .0018 .0003 .0068 0 .0006 0 |
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Fe2+M2 0 .1767 0 .005 .59 .0018 .0003 .0068 0 .0006 0 |
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MgM3 0 0 0 .86 .63 .0020 .0003 .0070 0 .0005 0 |
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AlM3 0 0 0 .10 .63 .0020 .0003 .0070 0 .0005 0 |
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Mn2+M3 0 0 0 .04 .63 .0020 .0003 .0070 0 .0005 0 |
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SiT1 .2819 .0844 .2938 .84 .53 .0016 .0002 .0065 -.0001 .0002 -.0001 |
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AlT1 .2819 .0844 .2938 .16 .53 .0016 .0002 .0065 -.0001 .0002 -.0001 |
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SiT2 .2914 .1711 .8008 .58 .0016 .0003 .0067 -.0001 .0001 .0001 |
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O1 .1111 .0860 .2175 .68 .0018 .0004 .0078 0 .0003 .0001 |
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O2 .1209 .1722 .7248 .70 .0018 .0004 .0085 .0001 .0005 .0001 |
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O3 .1097 0 .7146 .71 .0017 .0004 .0088 0 .0003 0 |
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O4 .3692 .2476 .7824 1.04 .0031 .0005 .0115 .0005 0 .0003 |
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O5 .3485 .1356 .0952 1.12 .0021 .0010 .0114 0 .0003 .0015 |
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O6 .3454 .1161 .5919 1.15 .0022 .0010 .0119 .0002 .0002 -.0015 |
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O7 .3411 0 .2767 1.09 .0026 .0005 .0149 0 .0006 0 |
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H .203 0 .767 1.01 |
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Pyrope |
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Oberti R, Quartieri S, Dalconi M C, Boscherini F, Iezzi G, Boiocchi M, |
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Eeckhout S G |
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American Mineralogist 91 (2006) 1230-1239 |
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Site preference and local geometry of Sc in garnets: Part I. |
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Multifarious mechanisms in the pyrope-grossular join |
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Locality: synthetic |
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Sample: prp |
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_database_code_amcsd 0004180 |
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11.4940 11.4940 11.4940 90 90 90 Ia-3d |
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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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MgX .125 0 .25 .90 .89 .00101 .00202 .00202 0 0 .00048 |
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ScX .125 0 .25 .10 .89 .00101 .00202 .00202 0 0 .00048 |
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AlY 0 0 0 .47 .00089 .00089 .00089 .00001 .00001 .00001 |
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SiT .375 0 .25 .95 .40 .00073 .00077 .00077 0 0 0 |
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MgT .375 0 .25 .05 .40 .00073 .00077 .00077 0 0 0 |
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O .03290 .05061 .65349 .59 .00113 .00135 .00089 .00010 -.00015 -.00001 |
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|
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|
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Grossular |
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Oberti R, Quartieri S, Dalconi M C, Boscherini F, Iezzi G, Boiocchi M, |
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Eeckhout S G |
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American Mineralogist 91 (2006) 1230-1239 |
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Site preference and local geometry of Sc in garnets: Part I. |
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Multifarious mechanisms in the pyrope-grossular join |
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Locality: synthetic |
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Sample: prp |
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_database_code_amcsd 0004181 |
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11.8830 11.8830 11.8830 90 90 90 Ia-3d |
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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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CaX .125 0 .25 .95 .51 .00064 .00104 .00104 0 0 .00023 |
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ScX .125 0 .25 .05 .51 .00064 .00104 .00104 0 0 .00023 |
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AlY 0 0 0 .93 .44 .00079 .00079 .00079 .00003 .00003 .00003 |
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ScY 0 0 0 .07 .44 .00079 .00079 .00079 .00003 .00003 .00003 |
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SiT .375 0 .25 .95 .61 .00096 .00115 .00115 0 0 0 |
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ScT .375 0 .25 .05 .61 .00096 .00115 .00115 0 0 0 |
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O .03803 .04587 .65194 .52 .00095 .00101 .00081 .00017 .00002 .00003 |
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|
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(Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6 |
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Camara F, Iezzi G, Oberti R |
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Physics and Chemistry of Minerals 30 (2003) 20-30 |
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HT-XRD study of synthetic ferrian magnesian spodumene: the effect of |
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site dimension on the P2_1/c - C2/c phase transition |
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Sample: T = 25 C |
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_database_code_amcsd 0008740 |
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9.638 8.709 5.258 90 109.83 90 P2_1/c |
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atom x y z occ Uiso |
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LiM2 .2520 .0139 .2314 .85 .015 |
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MgM2 .2520 .0139 .2314 .09 .015 |
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FeM2 .2520 .0139 .2314 .06 .015 |
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FeM1 .2502 .6480 .2340 .85 .006 |
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MgM1 .2502 .6480 .2340 .15 .006 |
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SiA .0470 .3392 .2792 .005 |
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SiB .5488 .8386 .2505 .005 |
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O1A .8674 .3337 .1657 .006 |
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O1B .3684 .8353 .1342 .007 |
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O2A .1174 .5073 .3159 .009 |
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O2B .6232 .0006 .3585 .009 |
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O3A .1081 .2671 .5851 .009 |
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O3B .6049 .7205 .5066 .010 |
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|
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|
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(Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6 |
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Camara F, Iezzi G, Oberti R |
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Physics and Chemistry of Minerals 30 (2003) 20-30 |
|
HT-XRD study of synthetic ferrian magnesian spodumene: the effect of |
|
site dimension on the P2_1/c - C2/c phase transition |
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Sample: T = 75 C |
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_database_code_amcsd 0008741 |
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9.651 8.706 5.270 90 109.95 90 P2_1/c |
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atom x y z occ Uiso |
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LiM2 .2512 .0148 .2337 .85 .014 |
|
MgM2 .2512 .0148 .2337 .09 .014 |
|
FeM2 .2512 .0148 .2337 .06 .014 |
|
FeM1 .2500 .6481 .2367 .85 .004 |
|
MgM1 .2500 .6481 .2367 .15 .004 |
|
SiA .0467 .3392 .2771 .004 |
|
SiB .5481 .8390 .2535 .004 |
|
O1A .8672 .3340 .1629 .005 |
|
O1B .3682 .8358 .1372 .006 |
|
O2A .1176 .5079 .3184 .009 |
|
O2B .6220 .0018 .3518 .009 |
|
O3A .1077 .2643 .5819 .008 |
|
O3B .6046 .7271 .5161 .011 |
|
|
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|
| |
|
(Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6 |
| |
Camara F, Iezzi G, Oberti R |
| |
Physics and Chemistry of Minerals 30 (2003) 20-30 |
|
HT-XRD study of synthetic ferrian magnesian spodumene: the effect of |
|
site dimension on the P2_1/c - C2/c phase transition |
|
Sample: T = 95 C |
|
_database_code_amcsd 0008742 |
|
9.672 8.697 5.281 90 110.09 90 P2_1/c |
|
atom x y z occ Uiso |
|
LiM2 .2516 .0156 .237 .85 .016 |
|
MgM2 .2516 .0156 .237 .09 .016 |
|
FeM2 .2516 .0156 .237 .06 .016 |
|
FeM1 .2501 .6483 .2402 .85 .005 |
|
MgM1 .2501 .6483 .2402 .15 .005 |
|
SiA .0463 .3391 .2747 .004 |
|
SiB .5473 .8394 .2572 .004 |
|
O1A .8668 .3340 .1597 .006 |
|
O1B .3675 .8364 .1414 .006 |
|
O2A .1180 .5075 .3217 .010 |
|
O2B .6203 .0040 .3437 .011 |
|
O3A .1074 .2617 .5769 .007 |
|
O3B .6040 .7340 .5257 .013 |
|
|
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|
| |
|
(Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6 |
| |
Camara F, Iezzi G, Oberti R |
| |
Physics and Chemistry of Minerals 30 (2003) 20-30 |
|
HT-XRD study of synthetic ferrian magnesian spodumene: the effect of |
|
site dimension on the P2_1/c - C2/c phase transition |
|
Sample: T = 125 C |
|
_database_code_amcsd 0008743 |
|
9.694 8.690 5.293 90 110.23 90 C2/c |
|
atom x y z occ Uiso |
|
LiM2 0 .2664 1/4 .85 .018 |
|
MgM2 0 .2664 1/4 .09 .018 |
|
FeM2 0 .2664 1/4 .06 .018 |
|
FeM1 0 .8985 1/4 .85 .006 |
|
MgM1 0 .8985 1/4 .15 .006 |
|
SiA .2961 .0896 .2669 .006 |
|
O1A .1170 .0859 .1503 .008 |
|
O2A .3685 .2562 .3303 .013 |
|
O3A .3552 -.0011 .0556 .016 |
|
|
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|
| |
|
(Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6 |
| |
Camara F, Iezzi G, Oberti R |
| |
Physics and Chemistry of Minerals 30 (2003) 20-30 |
|
HT-XRD study of synthetic ferrian magnesian spodumene: the effect of |
|
site dimension on the P2_1/c - C2/c phase transition |
|
Sample: T = 150 C |
|
_database_code_amcsd 0008744 |
|
9.701 8.690 5.295 90 110.26 90 C2/c |
|
atom x y z occ Uiso |
|
LiM2 0 .2673 1/4 .85 .018 |
|
MgM2 0 .2673 1/4 .09 .018 |
|
FeM2 0 .2673 1/4 .06 .018 |
|
FeM1 0 .8985 1/4 .85 .007 |
|
MgM1 0 .8985 1/4 .15 .007 |
|
SiA .2959 .0898 .2670 .006 |
|
O1A .1169 .0858 .1505 .008 |
|
O2A .3682 .2564 .3297 .013 |
|
O3A .3550 -.0016 .0561 .014 |
|
|
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|
| |
|
(Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6 |
| |
Camara F, Iezzi G, Oberti R |
| |
Physics and Chemistry of Minerals 30 (2003) 20-30 |
|
HT-XRD study of synthetic ferrian magnesian spodumene: the effect of |
|
site dimension on the P2_1/c - C2/c phase transition |
|
Sample: T = 200 C |
|
_database_code_amcsd 0008745 |
|
9.707 8.693 5.298 90 110.27 90 C2/c |
|
atom x y z occ Uiso |
|
LiM2 0 .2673 1/4 .85 .021 |
|
MgM2 0 .2673 1/4 .09 .021 |
|
FeM2 0 .2673 1/4 .06 .021 |
|
FeM1 0 .8984 1/4 .85 .008 |
|
MgM1 0 .8984 1/4 .15 .008 |
|
SiA .2958 .0897 .2667 .006 |
|
O1A .1169 .0860 .1499 .009 |
|
O2A .3681 .2563 .3295 .014 |
|
O3A .3550 -.0016 .0563 .015 |
|
|
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|
| |
|
Na2Mg6Si8O22(OH)2 |
| |
Camara F, Oberti R, Iezzi G, Della Ventura G |
| |
Physics and Chemistry of Minerals 30 (2003) 570-581 |
|
The P2_1/m - C2/m phase transition in synthetic amphibole |
|
Na NaMg Mg5 Si8 O22 (OH)2: thermodynamic and crystal-chemical evaluation |
|
Sample: T = ambient |
|
_database_code_amcsd 0008832 |
|
9.685 17.920 5.268 90 102.44 90 P2_1/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 .2658 .25 .0456 .81 3.83 .0063 .0044 .0414 0 .0130 0 |
|
Mg1 -.2500 .3382 .4847 .64 .0023 .0005 .0048 0 .0008 -.0001 |
|
Mg2 -.2501 .4295 .9838 .65 .0021 .0004 .0063 0 .0010 .0002 |
|
Mg3 -.2496 .25 .9858 .61 .0021 .0004 .0050 0 .0004 0 |
|
Mg4 -.2468 .5065 .4812 .595 .80 .0024 .0007 .0072 0 .0027 .0002 |
|
Na4' -.2606 .5209 .4797 .405 1.46 |
|
Si1A .0324 .3355 .2616 .50 .0017 .0004 .0043 -.0001 .0005 -.0001 |
|
Si1B .5320 .8344 .2951 .49 .0017 .0004 .0037 0 .0006 .0001 |
|
Si2A .0407 .4215 .7678 .52 .0017 .0004 .0041 -.0001 .0005 -.0001 |
|
Si2B .5441 .9195 .7991 .60 .0020 .0005 .0046 -.0003 .0004 .0002 |
|
O1A -.1368 .3365 .1970 .59 .0019 .0005 .0048 -.0001 .0007 -.0002 |
|
O1B .3629 .8367 .2257 .58 .0018 .0005 .0046 0 .0006 0 |
|
O2A -.1300 .4215 .7021 .72 .0018 .0007 .0062 -.0001 .0010 -.0005 |
|
O2B .3735 .9219 .7355 .77 .0025 .0007 .0050 -.0001 .0008 -.0003 |
|
O3A -.1398 .25 .6937 .68 .0022 .0005 .0058 0 .0007 0 |
|
O3B .3576 .75 .7219 .71 .0017 .0006 .0071 0 .0009 0 |
|
O4A .1199 .4990 .7951 1.08 .0042 .0005 .0093 -.0006 -.0007 -.0002 |
|
O4B .6260 .9938 .7662 1.86 .0066 .0011 .0127 -.0017 -.0039 .0018 |
|
O5A .0965 .3676 .0237 .95 .0024 .0010 .0074 .0001 .0013 .0012 |
|
O5B .6000 .8852 .0970 .90 .0023 .0008 .0076 -.0002 .0009 .0009 |
|
O6A .0996 .3802 .5269 1.00 .0023 .0010 .0082 .0003 0 -.0017 |
|
O6B .5928 .8578 .5969 1.01 .0023 .0012 .0059 .0002 .0003 -.0011 |
|
O7A .0922 .25 .3006 .86 .0024 .0004 .0116 0 .0012 0 |
|
O7B .5896 .75 .2607 .87 .0021 .0004 .0136 0 .0019 0 |
|
H1 -.056 .25 .727 3.86 |
|
H2 .561 .25 .246 2.21 |
|
|
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View JMOL 3-D Structure
|
| |
|
Na2Mg6Si8O22(OH)2 |
| |
Camara F, Oberti R, Iezzi G, Della Ventura G |
| |
Physics and Chemistry of Minerals 30 (2003) 570-581 |
|
The P2_1/m - C2/m phase transition in synthetic amphibole |
|
Na NaMg Mg5 Si8 O22 (OH)2: thermodynamic and crystal-chemical evaluation |
|
Sample: T = 140 C |
|
_database_code_amcsd 0008833 |
|
9.706 17.986 5.286 90 102.37 90 P2_1/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 .2707 .25 .0444 .81 3.83 .0063 .0044 .0414 0 .0130 0 |
|
Mg1 -.2485 .3382 .4908 .64 .0023 .0005 .0048 0 .0008 -.0001 |
|
Mg2 -.2503 .4296 .9829 .65 .0021 .0004 .0063 0 .0010 .0002 |
|
Mg3 -.2533 .25 .9898 .61 .0021 .0004 .0050 0 .0004 0 |
|
Mg4 -.2406 .5059 .4925 .595 .80 .0024 .0007 .0072 0 .0027 .0002 |
|
Na4' -.2593 .5228 .4710 .405 1.46 |
|
Si1A .0323 .3359 .2645 .50 .0017 .0004 .0043 -.0001 .0005 -.0001 |
|
Si1B .5306 .8343 .2894 .49 .0017 .0004 .0037 0 .0006 .0001 |
|
Si2A .0401 .4216 .7722 .52 .0017 .0004 .0041 -.0001 .0005 -.0001 |
|
Si2B .5446 .9195 .7963 .60 .0020 .0005 .0046 -.0003 .0004 .0002 |
|
O1A -.1388 .3357 .1957 .59 .0019 .0005 .0048 -.0001 .0007 -.0002 |
|
O1B -.1278 .4211 .7126 .58 .0018 .0005 .0046 0 .0006 0 |
|
O2A .3651 .8370 .2278 .72 .0018 .0007 .0062 -.0001 .0010 -.0005 |
|
O2B .3701 .9216 .7263 .77 .0025 .0007 .0050 -.0001 .0008 -.0003 |
|
OH3A -.1361 .25 .6983 .68 .0022 .0005 .0058 0 .0007 0 |
|
OH3B .3551 .75 .7236 .71 .0017 .0006 .0071 0 .0009 0 |
|
O4A .1246 .4986 .7891 1.08 .0042 .0005 .0093 -.0006 -.0007 -.0002 |
|
O4B .6204 .9947 .7724 1.86 .0066 .0011 .0127 -.0017 -.0039 .0018 |
|
O5A .0961 .3692 .0319 .95 .0024 .0010 .0074 .0001 .0013 .0012 |
|
O5B .5987 .8833 .0878 .90 .0023 .0008 .0076 -.0002 .0009 .0009 |
|
O6A .0985 .3777 .5357 1.00 .0023 .0010 .0082 .0003 0 -.0017 |
|
O6B .5943 .8586 .5877 1.01 .0023 .0012 .0059 .0002 .0003 -.0011 |
|
O7A .0942 .25 .3001 .86 .0024 .0004 .0116 0 .0012 0 |
|
O7B .5869 .75 .2608 .87 .0021 .0004 .0136 0 .0019 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Na2Mg6Si8O22(OH)2 |
| |
Camara F, Oberti R, Iezzi G, Della Ventura G |
| |
Physics and Chemistry of Minerals 30 (2003) 570-581 |
|
The P2_1/m - C2/m phase transition in synthetic amphibole |
|
Na NaMg Mg5 Si8 O22 (OH)2: thermodynamic and crystal-chemical evaluation |
|
Sample: T = 270 C |
|
_database_code_amcsd 0008834 |
|
9.723 18.027 5.301 90 102.26 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 .31 2.27 .0027 .0041 .0027 0 -.0022 0 |
|
NaAm .0259 .5 .0914 .25 2.76 .0050 .0036 .0213 0 .0071 0 |
|
Mg1 0 .0883 .5 .85 .0031 .0010 .0022 0 .0020 0 |
|
Mg2 0 .1795 0 1.11 .0038 .0006 .0114 0 .0022 0 |
|
Mg3 0 0 0 .87 .0017 .0004 .0117 0 -.0013 0 |
|
Mg4 0 .2620 .5 .595 2.54 .0078 .0030 .0133 0 .0085 0 |
|
Na4 0 .2620 .5 .405 2.54 .0078 .0030 .0133 0 .0085 0 |
|
Si1 .2810 .0850 .2759 .65 .0025 .0005 .0038 .0002 .0014 0 |
|
Si2 .2924 .1707 .7833 .84 .0023 .0007 .0075 -.0002 .0009 .0003 |
|
O1 .1126 .0863 .2117 .86 .0016 .0009 .0080 -.0003 .0012 .0001 |
|
O2 .1221 .1718 .7191 1.14 .0041 .0011 .0055 -.0004 .0019 .0001 |
|
O3 .1088 0 .7058 1.10 .0030 .0007 .0119 0 .0014 0 |
|
O4 .3714 .2469 .7798 1.80 .0052 .0011 .0162 -.0012 -.0019 .0004 |
|
O5 .3467 .1266 .0588 1.56 .0038 .0018 .0105 .0001 .0028 .0024 |
|
O6 .3456 .1191 .5591 1.70 .0032 .0024 .0058 .0006 -.0007 -.0029 |
|
O7 .3393 0 .2782 1.64 .0059 .0004 .0230 0 .0049 0 |
|
H .195 0 .767 .01 |
|
|
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View JMOL 3-D Structure
|
| |
|
Na2Mg6Si8O22(OH)2 |
| |
Camara F, Oberti R, Iezzi G, Della Ventura G |
| |
Physics and Chemistry of Minerals 30 (2003) 570-581 |
|
The P2_1/m - C2/m phase transition in synthetic amphibole |
|
Na NaMg Mg5 Si8 O22 (OH)2: thermodynamic and crystal-chemical evaluation |
|
Sample: T = 370 C |
|
_database_code_amcsd 0008835 |
|
9.737 18.049 5.303 90 102.22 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 .31 2.64 .0045 .0043 .0031 0 -.0028 0 |
|
NaAm .0340 .5 .1132 .25 3.21 .0070 .0041 .0144 0 .0002 0 |
|
Mg1 0 .0882 .5 1.14 .0049 .0012 .0035 0 .0041 0 |
|
Mg2 0 .1801 0 1.37 .0035 .0009 .0151 0 .0012 0 |
|
Mg3 0 0 0 1.59 .0053 .0003 .0207 0 .0001 0 |
|
Mg4 0 .2617 .5 .595 2.36 .0058 .0031 .0127 0 .0076 0 |
|
Na4 0 .2617 .5 .405 2.36 .0058 .0031 .0127 0 .0076 0 |
|
Si1 .2812 .0850 .2756 .80 .0023 .0008 .0056 -.0001 .0012 .0001 |
|
Si2 .2917 .1707 .7826 .97 .0037 .0007 .0067 -.0003 .0013 .0001 |
|
O1 .1133 .0862 .2098 .93 .0020 .0009 .0102 0 .0036 -.0001 |
|
O2 .1218 .1722 .7198 1.44 .0052 .0011 .0071 -.0005 -.0020 -.0005 |
|
O3 .1090 0 .7091 1.79 .0057 .0006 .0225 0 .0022 0 |
|
O4 .3728 .2467 .7846 2.04 .0069 .0015 .0128 -.0012 -.0008 .0006 |
|
O5 .3466 .1263 .0572 1.85 .0056 .0021 .0083 -.0001 .0029 .0026 |
|
O6 .3445 .1193 .5583 1.98 .0032 .0025 .0143 .0005 .0010 -.0029 |
|
O7 .3389 0 .2758 1.70 .0031 .0011 .0245 0 .0026 0 |
|
H .177 0 .733 2.84 |
|
|
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|
| |
|
Ferri-clinoholmquistite |
| |
Iezzi G, Camara F, Della Ventura G, Oberti R, Pedrazzi G, Robert J-L |
| |
Physics and Chemistry of Minerals 31 (2004) 375-385 |
|
Synthesis, crystal structure and crystal chemistry of ferri-clinoholmquistite, |
|
_Li2Mg3Fe3+2Si8O22(OH)2 |
|
Sample: 152 |
|
_database_code_amcsd 0008866 |
|
9.466 17.970 5.288 90 101.84 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) |
|
LiA2 0 .44 .5 .10 |
|
Mg1 0 .0883 .5 .80 1.0 .0028 .0002 .0174 0 .0020 0 |
|
Fe2+1 0 .0883 .5 .20 1.0 .0028 .0002 .0174 0 .0020 0 |
|
Fe3+2 0 .1811 0 .52 .6 .0027 .0002 .0067 0 .0015 0 |
|
Mg2 0 .1811 0 .48 .6 .0027 .0002 .0067 0 .0015 0 |
|
Mg3 0 0 0 .80 .5 .0026 .0003 .0031 0 .0005 0 |
|
Fe2+3 0 0 0 .20 .5 .0026 .0003 .0031 0 .0005 0 |
|
Li4 0 .2566 .5 .63 1.5 .0035 .0008 .0227 0 .0044 0 |
|
Fe2+4 0 .2566 .5 .225 1.5 .0035 .0008 .0227 0 .0044 0 |
|
Mg4 0 .2566 .5 .145 1.5 .0035 .0008 .0227 0 .0044 0 |
|
Si1 .2883 .0852 .2723 .7 .0024 .0002 .0110 .0001 .0019 .0004 |
|
Si2 .2978 .1702 .7835 .6 .0027 .0002 .0066 .0004 .0009 .0003 |
|
O1 .1145 .0879 .2067 1.1 .0037 .0006 .0124 .0007 .0009 .0008 |
|
O2 .1225 .1725 .7238 .8 .0034 .0001 .0116 0 .0003 .0004 |
|
O3 .1115 0 .7017 1.0 .0018 .0000 .0238 0 .0025 0 |
|
O4 .3760 .2487 .7705 1.0 .0030 .0007 .0099 .0004 .0008 .0003 |
|
O5 .3522 .1303 .0587 .9 .0028 .0008 .0052 .0001 .0023 .0014 |
|
O6 .3481 .1189 .5583 1.1 .0025 .0014 .0053 .0011 .0001 .0020 |
|
O7 .3425 0 .2740 1.1 .0036 .0000 .0229 0 .0046 0 |
|
H .19 0 .74 1.0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Camara F, Iezzi G, Tiepolo M, Oberti R |
| |
Physics and Chemistry of Minerals 33 (2006) 475-483 |
|
The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene |
|
Sample: LMFPX3 |
|
_database_code_amcsd 0009041 |
|
18.2113 8.8172 5.2050 90 90 90 Pbca |
|
atom x y z occ Biso |
|
MgM1 .3754 .6510 .8745 .74 .63 |
|
Fe3+M1 .3754 .6510 .8745 .20 .63 |
|
Fe2+M1 .3754 .6510 .8745 .06 .63 |
|
MgM2 .3775 .4846 .3665 .59 .69 |
|
Fe2+M2 .3775 .4846 .3665 .21 .69 |
|
LiM2 .3775 .4846 .3665 .20 .69 |
|
Sia .2722 .3406 .0540 .44 |
|
Sib .4740 .3371 .7942 .45 |
|
O1a .1836 .3375 .0442 .60 |
|
O1b .5630 .3375 .7960 .60 |
|
O2a .3104 .5032 .0502 .72 |
|
O2b .4342 .4871 .6973 .74 |
|
O3a .3033 .2281 -.1714 .70 |
|
O3b .4474 .2017 .5920 .73 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Camara F, Iezzi G, Tiepolo M, Oberti R |
| |
Physics and Chemistry of Minerals 33 (2006) 475-483 |
|
The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene |
|
Sample: LMFPX4 |
|
_database_code_amcsd 0009042 |
|
18.2369 8.8246 5.2076 90 90 90 Pbca |
|
atom x y z occ Biso |
|
MgM1 .3754 .6514 .8734 .74 .61 |
|
Fe3+M1 .3754 .6514 .8734 .20 .61 |
|
Fe2+M1 .3754 .6514 .8734 .06 .61 |
|
MgM2 .3775 .4848 .3655 .59 .67 |
|
Fe2+M2 .3775 .4848 .3655 .21 .67 |
|
LiM2 .3775 .4848 .3655 .20 .67 |
|
Sia .2721 .3408 .0535 .41 |
|
Sib .4739 .3370 .7949 .41 |
|
O1a .1836 .3378 .0428 .55 |
|
O1b .5630 .3380 .7966 .60 |
|
O2a .3104 .5029 .0492 .70 |
|
O2b .4340 .4864 .6964 .70 |
|
O3a .3033 .2275 -.1714 .63 |
|
O3b .4475 .2006 .5939 .65 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Camara F, Iezzi G, Tiepolo M, Oberti R |
| |
Physics and Chemistry of Minerals 33 (2006) 475-483 |
|
The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene |
|
Sample: LMFPX5 |
|
_database_code_amcsd 0009043 |
|
18.2162 8.8194 5.2054 90 90 90 Pbca |
|
atom x y z occ Biso |
|
MgM1 .3754 .6513 .8740 .74 .66 |
|
Fe3+M1 .3754 .6513 .8740 .20 .66 |
|
Fe2+M1 .3754 .6513 .8740 .06 .66 |
|
MgM2 .3775 .4848 .3657 .59 .73 |
|
Fe2+M2 .3775 .4848 .3657 .21 .73 |
|
LiM2 .3775 .4848 .3657 .20 .73 |
|
Sia .2721 .3408 .0537 .45 |
|
Sib .4740 .3371 .7943 .46 |
|
O1a .1835 .3378 .0434 .61 |
|
O1b .5630 .3377 .7962 .63 |
|
O2a .3104 .5030 .0500 .71 |
|
O2b .4341 .4867 .6969 .78 |
|
O3a .3032 .2280 -.1712 .66 |
|
O3b .4475 .2014 .5930 .74 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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