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Paranatisite |
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Sokolova E V, Hawthorne F C |
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The Canadian Mineralogist 40 (2002) 947-960 |
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Reconsideration of the crystal structure of paranatisite and the crystal |
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chemistry of [M2T2_12] sheets |
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_database_code_amcsd 0005777 |
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9.181 4.800 9.811 90 90 90 Pmc2_1 |
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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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Ti(1) 0 .0342 .4594 .0057 .0001 .0090 .0079 0 0 .0010 |
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Ti(2A) .5 .5248 .1782 .012 .000 .012 .025 0 0 -.005 |
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Ti(2B) .5 .4777 .2422 .006 .004 .009 .005 0 0 .0010 |
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Si(1) .24961 -.0004 .2095 .0065 .0000 .0103 .0091 .0016 -.0009 .0000 |
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Na(1) -.24955 .4965 .4614 .0120 .0065 .0146 .0148 .0030 -.0012 .0008 |
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Na(2) 0 .498 .2138 .0166 .0167 .0180 .0151 0 0 .0060 |
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Na(3) .5 .0926 -.0406 .0129 .0065 .0158 .0165 0 0 -.003 |
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O(1) .1461 .1443 .5934 .0119 .006 .014 .016 -.003 -.002 .003 |
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O(2) .6497 .7522 .2730 .0124 .007 .015 .016 -.002 .001 .002 |
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O(3) 0 -.3202 .4622 .0128 .009 .014 .015 0 0 -.002 |
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O(4) .1469 .1452 .3229 .0105 .002 .017 .012 .004 .005 .0005 |
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O(5) .3511 .2394 .1396 .0093 .002 .009 .017 -.003 .002 -.0005 |
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O(6) .5 -.3533 .0112 .0145 .003 .016 .025 0 0 -.0002 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Paranatisite |
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Sokolova E V, Yamnova N A, Egorov-Tismenko Y K, Khomyakov A P |
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Soviet Physics Doklady 30 (1985) 822-825 |
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Crystal structure of a new mineral Na8Ti3.5O2(OH)2[SiO4]4 - |
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a polymorphous modification of natisite |
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Locality: Khibiny mountain range, Kolsky Peninsula, Russia |
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_database_code_amcsd 0020476 |
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9.827 9.167 4.799 90 90 90 Pmma |
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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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Na1 .25 0 .404 1.9 .00724 .00654 .00868 0 0 0 |
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Na2 0 .5 0 1.2 .00569 .00327 .00651 0 .00212 0 |
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Na3 .25 .252 .996 2.2 .00776 .00505 .01302 0 0 .00056 |
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Ti1 0 0 0 .75 1.8 .01967 .00000 .00217 0 -.01643 0 |
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Ti2 .25 .5 .535 .2 .00103 .00267 .00868 0 0 0 |
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Si 0 .251 .5 .8 .00233 .00208 .01736 0 0 0 |
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O1 .614 .355 .355 1.1 .00000 .00684 .01736 -.00194 .00053 -.00341 |
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O2 .435 .148 .255 .9 .00258 .00119 .01519 -.00138 -.00318 0 |
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OH3 .307 0 .873 .5 2.3 .01682 .00029 .02171 0 -.01060 0 |
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O4 .25 .5 .178 .8 .00621 .00327 .00108 0 0 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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