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Schullerite |
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Sokolova E, Hawthorne F C, Abdu Y A |
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The Canadian Mineralogist 51 (2013) 715-72 |
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From structure topology to chemical composition. XV. Titanium silicates: |
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revision of the crystal structure and chemical formula of schullerite, |
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Na2Ba2Mg2Ti2(Si2O7)2O2F2, from the Eifel volcanic region, Germany |
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Locality: Eifel volcanic region, Germany |
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_database_code_amcsd 0020054 |
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5.396 7.071 10.226 99.73 99.55 90.09 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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TiMH .31624 .29918 .70911 .835 .00764 .00608 .00731 .00961 .00015 .00141 .00162 |
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Fe3+MH .31624 .29918 .70911 .105 .00764 .00608 .00731 .00961 .00015 .00141 .00162 |
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NbMH .31624 .29918 .70911 .045 .00764 .00608 .00731 .00961 .00015 .00141 .00162 |
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ZrMH .31624 .29918 .70911 .01 .00764 .00608 .00731 .00961 .00015 .00141 .00162 |
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AlMH .31624 .29918 .70911 .005 .00764 .00608 .00731 .00961 .00015 .00141 .00162 |
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Si1 .18162 .41608 .27263 .00858 .0082 .0068 .0108 .00025 .00191 .00163 |
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Si2 .17716 .97192 .27515 .00823 .0076 .0070 .0102 .00044 .00153 .00183 |
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BaAP .27134 .76552 .56608 .785 .00990 .00889 .00793 .01328 .00053 .00245 .00234 |
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SrAP .27134 .76552 .56608 .07 .00990 .00889 .00793 .01328 .00053 .00245 .00234 |
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KAP .27134 .76552 .56608 .07 .00990 .00889 .00793 .01328 .00053 .00245 .00234 |
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MgMO1 .25709 .11913 .99788 .395 .01566 .0199 .0129 .0137 -.0020 .00105 .0028 |
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Fe2+MO1 .25709 .11913 .99788 .355 .01566 .0199 .0129 .0137 -.0020 .00105 .0028 |
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NaMO1 .25709 .11913 .99788 .165 .01566 .0199 .0129 .0137 -.0020 .00105 .0028 |
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Fe3+MO1 .25709 .11913 .99788 .085 .01566 .0199 .0129 .0137 -.0020 .00105 .0028 |
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NaMO2 .24601 -.37376 -.00081 .55 .01901 .0134 .0175 .0242 .0004 -.00166 .0028 |
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CaMO2 .24601 -.37376 -.00081 .215 .01901 .0134 .0175 .0242 .0004 -.00166 .0028 |
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MnMO2 .24601 -.37376 -.00081 .15 .01901 .0134 .0175 .0242 .0004 -.00166 .0028 |
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Fe2+MO2 .24601 -.37376 -.00081 .085 .01901 .0134 .0175 .0242 .0004 -.00166 .0028 |
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O1 .0475 1.0985 .65434 .0118 .0086 .0093 .0182 -.0014 .0035 .0028 |
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O2 .1185 .9202 .11411 .0203 .0200 .0291 .0112 .0038 .0016 .0030 |
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O3 -.0473 .5214 .33847 .0126 .0098 .0100 .0187 .0025 .0037 .0033 |
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O4 .4457 .8997 .34327 .0114 .0086 .0095 .0158 .0020 .0011 .0021 |
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O5 .8030 .7921 .67156 .0146 .0138 .0067 .0245 .0006 .0045 .0047 |
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O6 .4491 .5233 .34310 .0125 .0095 .0093 .0192 -.0014 .0024 .0036 |
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O7 .1379 .3824 .11218 .0224 .0253 .0299 .0114 -.0016 .0042 .0011 |
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OXOM .3699 .3312 .88348 .0215 .0189 .0301 .0159 .0023 .0061 .0016 |
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FXOA .3874 .8679 .88901 .0332 .0283 .0445 .0267 -.0070 .0063 .0045 |
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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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