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Killalaite |
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Taylor H F W |
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Mineralogical Magazine 41 (1977) 363-369 |
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The crystal structure of killalaite |
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Locality: Killala Bay, Ireland |
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_database_code_amcsd 0014467 |
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6.807 15.459 6.811 90 97.76 90 P2_1/m |
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atom x y z occ Biso |
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Ca1 .3314 -.0942 .9308 1.24 |
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Ca2 .7190 -.0996 .3330 1.89 |
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Ca3 .0125 .25 .3375 1.86 |
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Ca4 .9299 .25 .8332 2.08 |
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Ca5 .520 .25 .487 .43 1.2 |
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Si1 .8131 -.0874 .8374 1.00 |
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Si2 .7804 .0833 .6008 .93 |
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O1 .677 -.0587 .002 1.2 |
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O2 .690 -.1463 .662 1.9 |
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OH2 .690 -.1463 .662 .57 1.9 |
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O3 .004 -.1440 .919 1.0 |
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O4 .672 .0489 .392 2.7 |
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O5 .633 .1316 .731 1.6 |
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O6 .957 .1504 .576 1.1 |
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O7 .884 .0004 .727 2.5 |
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OH8 .280 .25 .762 3.0 |
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OH9 .660 .25 .156 2.0 |
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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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Killalaite |
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Armbruster T, Lazic B, Galuskina I O, Galuskin E V, Gnos E, Marzec K M, Gazeev V M |
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Mineralogical Magazine 76 (2012) 455-472 |
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Trabzonite, Ca4[Si3O9(OH)]OH: crystal structure, revised formula, new occurrence |
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and relation to killalaite |
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Locality: Northern Caucasus, Russia |
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_database_code_amcsd 0018997 |
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6.824 15.465 6.839 90 97.692 90 P2_1/m |
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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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Ca1 .3324 -.09374 .9295 .0217 .0213 .0167 .0268 -.0027 .0020 -.0026 |
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Ca2 .7197 -.10117 .3315 .0297 .0272 .0315 .0306 .0075 .0049 .0131 |
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Ca3 .0084 .25 .3351 .0300 .062 .0104 .0190 .000 .0088 .000 |
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Ca4 .9196 .25 .8314 .0332 .067 .0116 .0197 .000 .0005 .000 |
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Ca5 .5216 .25 .4815 .320 .013 .013 .008 .018 .000 .000 .000 |
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H2 .555 -.131 .67 .68 .050 |
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Si1 .8142 -.08700 .8382 .0205 .0209 .0170 .0236 .0025 .0027 .0039 |
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Si2 .7798 .08307 .5996 .0159 .0191 .0106 .0180 -.0009 .0023 .0011 |
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O1 .6784 -.0583 .0010 .0182 .019 .016 .020 .003 .003 -.002 |
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O2 .6904 -.1461 .6641 .0306 .023 .044 .024 -.009 -.001 -.002 |
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O3 .0039 -.1438 .9203 .0212 .030 .012 .021 .002 .003 .001 |
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O4 .6701 .0487 .3904 .0379 .050 .037 .025 -.022 .000 -.005 |
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O5 .6296 .1308 .7326 .0270 .027 .021 .035 .006 .009 -.002 |
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O6 .9547 .1509 .5740 .0235 .031 .015 .025 -.006 .005 .003 |
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O7 .8861 -.0004 .7243 .0386 .028 .024 .068 .007 .018 .018 |
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O8 .2761 .25 .763 .055 .040 .013 .102 .000 -.022 .000 |
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O9 .6614 .25 .1541 .029 .026 .018 .044 .000 .008 .000 |
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H8 .418 .25 .77 .050 |
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H9 .54 .25 .22 .050 |
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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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