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Tundrite-(Ce) |
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Grice J D, Rowe R, Poirier G, Wight Q |
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The Canadian Mineralogist 46 (2008) 413-422 |
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Tundrite-(Ce) from Mount Saint-Hilaire, Quebec: Crystal-structure |
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analysis and species characterization |
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Locality: Mount Saint-Hilaire, Quebec, Canada |
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_database_code_amcsd 0006184 |
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7.5760 13.9252 5.0290 99.981 70.791 100.947 P-1 |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ce1 .6573 .7797 .5952 .00968 .0104 .0119 .0077 .00036 -.00438 .00224 |
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Ce2 .2195 .77840 .3119 .030 .01052 .0112 .0142 .0062 .00402 -.00127 .00148 |
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La2 .2195 .77840 .3119 .621 .01052 .0112 .0142 .0062 .00402 -.00127 .00148 |
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Nd2 .2195 .77840 .3119 .229 .01052 .0112 .0142 .0062 .00402 -.00127 .00148 |
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Pr2 .2195 .77840 .3119 .081 .01052 .0112 .0142 .0062 .00402 -.00127 .00148 |
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Sm2 .2195 .77840 .3119 .014 .01052 .0112 .0142 .0062 .00402 -.00127 .00148 |
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Na1 0 0 1/2 .0212 .039 .012 .014 .001 .011 -.0022 |
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Na2 .1375 .4719 .1759 .906 .0299 .030 .032 .027 .0068 -.0083 -.0001 |
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Ca2 .1375 .4719 .1759 .039 .0299 .030 .032 .027 .0068 -.0083 -.0001 |
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Na3 1/2 1/2 1/2 .0286 .049 .019 .014 -.010 -.012 .003 |
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Ti .60840 .99963 .1957 .875 .0120 .0130 .0133 .0097 .0020 -.0037 .0008 |
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Nb .60840 .99963 .1957 .109 .0120 .0130 .0133 .0097 .0020 -.0037 .0008 |
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Si .9622 .85797 .9129 .0085 .0096 .0114 .0051 .0018 -.0029 .0008 |
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C1 .7921 .3546 .2374 .0136 .015 .014 .013 .005 -.004 .001 |
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C2 .6011 .652 .0601 .0125 .010 .016 .010 .001 -.001 .003 |
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O1 .9339 .7555 .7084 .0097 .009 .011 .009 .0013 -.0034 .0012 |
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O2 .7939 .9173 .9117 .0109 .012 .014 .007 .004 -.003 -.0007 |
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O3 .1629 .9161 .7260 .0107 .009 .013 .009 -.0002 -.0030 .0021 |
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O4 .9575 .8437 .2269 .0115 .013 .015 .007 .003 -.0026 .0030 |
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O5 .4070 .9179 .0663 .0110 .012 .012 .008 .000 -.0040 .0022 |
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O6 .5507 .9191 .4970 .0115 .015 .011 .007 .005 -.001 .0025 |
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O7 .8718 .3811 .9889 .0212 .027 .019 .017 -.002 -.007 .009 |
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O8 .8080 .4068 .4629 .0265 .025 .028 .021 -.001 -.009 -.010 |
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O9 .3328 .3774 .7677 .0178 .028 .016 .013 .003 -.009 .004 |
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O10 .4023 .3939 .1762 .0195 .026 .020 .014 .003 -.011 -.003 |
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O11 .3072 .7334 .7463 .0143 .014 .017 .012 -.001 -.006 .003 |
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O12 .5462 .7392 .1337 .0130 .014 .014 .011 .004 -.003 .000 |
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OH13 .779 .781 .033 .11 .03 |
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H5 .27 .90 .19 .07 .03 |
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H6 .53 .86 .65 .07 .03 |
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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 (permalink)
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Tundrite-(Ce) |
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Shumyatskaya N G, Voronkov A A, Ilyukhin V V, Belov N V |
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Soviet Physics Crystallography 21 (1976) 399-405 |
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Tundrite, Na2Ce2TiO2[SiO4](CO3)2 - |
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refinement of the crystal structure and chemical formula |
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Locality: Khibiny Massif, Kola Peninsula, Russia |
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Note: y(O11) adjusted to match reported bond lengths |
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_database_code_amcsd 0015572 |
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7.560 13.957 5.040 101.12 70.87 100.02 P-1 |
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atom x y z Biso |
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Na1 0 0 .5 1.82 |
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Na2 .1405 .4747 .1748 2.08 |
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Na3 .5 .5 .5 3.26 |
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Ce1 .6565 .7787 .5923 .83 |
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Ce2 .2181 .7776 .3103 1.04 |
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Ti .6100 .9997 .1947 .10 |
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Si .9610 .8578 .9115 .37 |
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C1 .7914 .3534 .2433 1.22 |
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C2 .5993 .6535 .0623 .71 |
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O1 .9335 .7563 .7068 .66 |
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O2 .7925 .9172 .9089 .81 |
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O3 .1613 .9167 .7245 .70 |
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O4 .9563 .8430 .2243 .88 |
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O5 .4053 .9185 .0677 .81 |
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O6 .5504 .9189 .4993 .74 |
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O7 .8735 .3813 .9915 .01 |
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O8 .8096 .4043 .4623 2.41 |
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O9 .3343 .3761 .7702 1.46 |
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O10 .4046 .3923 .1771 1.37 |
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O11 .3076 .7358 .7489 1.24 |
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O12 .5458 .7415 .1339 .91 |
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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 (permalink)
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