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Fresnoite |
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Chukanov N V, Kazheva O N, Fischer R X, Aksenov S M |
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Acta Crystallographica B79 (2023) S2052520622012045 |
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Refinement of the crystal structure of fresnoite, Ba2TiSi2O8, from Lohley |
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(Eifel district, Germany); Gladstone-Dale compatibility, electronic polarizability |
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and vibrational spectroscopy of minerals and inorganic compounds with |
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pentacoordinated TiIV and a titanyl bond |
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Locality: Lohley, Eifel district, Germany |
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_database_code_amcsd 0021205 |
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8.5104 8.5104 5.1975 90 90 90 P4bm |
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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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Ba .32715 .82715 .00051 .00865 .00940 .00940 .00715 -.00491 -.00086 -.00086 |
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Ti 0 0 .53608 .00667 .0071 .0071 .0057 0 0 0 |
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Si .12793 .62793 .5130 .00767 .0087 .0087 .0055 .0013 -.0013 -.0013 |
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O1 0 0 .2106 .0149 .0178 .0178 .0091 0 0 0 |
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O2 0 .5 .6300 .0250 .035 .035 .0056 -.0220 0 0 |
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O3 .1260 .6260 .2067 .0088 .0098 .0098 .0067 -.0013 -.0002 -.0002 |
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O4 .2922 .5761 .6451 .0236 .0142 .0462 .0105 .0150 -.0035 -.0075 |
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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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Fresnoite |
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Moore P B, Louisnathan S J |
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Zeitschrift fur Kristallographie 130 (1969) 438-448 |
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The crystal structure of fresnoite, Ba2(TiO)Si2O7 |
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Positive polarity |
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Locality: sanbornite deposits of eastern Fresno County, California, USA |
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_database_code_amcsd 0010704 |
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8.518 8.518 5.211 90 90 90 P4bm |
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atom x y z Biso |
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Ba .3272 .8272 0 .89 |
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Ti 0 0 .5414 .17 |
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Si .1282 .6282 .5207 .37 |
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O1 0 .5 .6183 1.80 |
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O2 .1236 .6236 .2125 .51 |
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O3 .2896 .5762 .6584 1.29 |
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O4 0 0 .2278 .94 |
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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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Fresnoite |
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Moore P B, Louisnathan S J |
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Zeitschrift fur Kristallographie 130 (1969) 438-448 |
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The crystal structure of fresnoite, Ba2(TiO)Si2O7 |
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Negative polarity |
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Locality: sanbornite deposits of eastern Fresno County, California, USA |
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_database_code_amcsd 0010705 |
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8.518 8.518 5.211 90 90 90 P4bm |
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atom x y z Biso |
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Ba .3272 .8272 0 .89 |
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Ti 0 0 .5385 .17 |
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Si .1281 .6281 .5136 .39 |
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O1 0 .5 .6091 1.66 |
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O2 .1241 .6241 .2019 .47 |
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O3 .2897 .5758 .6496 1.23 |
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O4 0 0 .2178 .96 |
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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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Fresnoite |
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Masse R, Grenier J, Durif A |
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Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 90 (1967) 20-23 |
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Structure cristalline de la fresnoite |
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_cod_database_code 1007234 |
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_database_code_amcsd 0015916 |
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8.52 8.52 5.21 90 90 90 P4bm |
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atom x y z |
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Ba1 .173 .673 0 |
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Ti1 0 0 .54 |
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Si1 .63 .13 .52 |
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O1 .09 .206 .655 |
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O2 .618 .118 .21 |
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O3 .5 0 .62 |
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O4 0 0 .16 |
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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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