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Edingtonite |
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Gatta G D, Ballaran T B, Comodi P, Zanazzi P F |
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American Mineralogist 89 (2004) 633-639 |
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Isothermal equation of state and compressional behavior of tetragonal edingtonite |
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Sample at P = 0.0001 GPa in air |
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_database_code_amcsd 0003529 |
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9.5909 9.5909 6.5339 90 90 90 P-42_1m |
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atom x y z occ Uiso |
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Ba1 .5 .0 .64292 .79 .01583 |
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Ba2 .5 .0 .5938 .15 .0138 |
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SiT1 .0 .0 .0 .60 .00933 |
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AlT1 .0 .0 .0 .40 .00933 |
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SiT2 -.17347 .09318 .38107 .61 .00934 |
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AlT2 -.17347 .09318 .38107 .39 .00934 |
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O1 .17297 .32703 .62436 .01337 |
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O23 -.04481 .19643 .46501 .01664 |
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O45 -.13667 .03769 .14424 .01659 |
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Wat1 .17659 .32341 .1461 .79 .0310 |
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Wat2 .37786 .12214 -.0251 .98 .0581 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Edingtonite |
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Gatta G D, Ballaran T B, Comodi P, Zanazzi P F |
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American Mineralogist 89 (2004) 633-639 |
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Isothermal equation of state and compressional behavior of tetragonal edingtonite |
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Sample at P = 0.0001 GPa in diamond cell |
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_database_code_amcsd 0003530 |
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9.5909 9.5909 6.5339 90 90 90 P-42_1m |
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atom x y z occ Uiso |
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Ba1 .5 .0 .6448 .76 .0193 |
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Ba2 .5 .0 .5938 .15 .0269 |
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SiT1 .0 .0 .0 .60 .0148 |
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AlT1 .0 .0 .0 .40 .0148 |
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SiT2 -.17337 .09321 .38132 .61 .01698 |
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AlT2 -.17337 .09321 .38132 .39 .01698 |
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O1 .17285 .32715 .6195 .0209 |
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O23 -.04456 .1945 .4665 .0227 |
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O45 -.1364 .03823 .1456 .0219 |
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Wat1 .1786 .3213 .1405 .74 .0376 |
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Wat2 .3740 .1259 -.0192 .92 .066 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Edingtonite |
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Gatta G D, Ballaran T B, Comodi P, Zanazzi P F |
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American Mineralogist 89 (2004) 633-639 |
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Isothermal equation of state and compressional behavior of tetragonal edingtonite |
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Sample at P = 2.285 GPa |
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_database_code_amcsd 0003531 |
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9.4669 9.4669 6.4765 90 90 90 P-42_1m |
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atom x y z occ Uiso |
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Ba1 .5 .0 .64407 .84 .0156 |
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Ba2 .5 .0 .599 .04 .035 |
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SiT1 .0 .0 .0 .60 .0185 |
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AlT1 .0 .0 .0 .40 .0185 |
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SiT2 -.17650 .08882 .38125 .61 .01860 |
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AlT2 -.17650 .08882 .38125 .39 .01860 |
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O1 .16745 .33255 .6277 .0179 |
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O23 -.05014 .19435 .4589 .0229 |
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O45 -.14302 .03088 .1435 .0242 |
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Wat1 .1793 .3206 .1552 .74 .0160 |
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Wat2 .3774 .1225 -.0136 .92 .0499 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Edingtonite |
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Gatta G D, Ballaran T B, Comodi P, Zanazzi P F |
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American Mineralogist 89 (2004) 633-639 |
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Isothermal equation of state and compressional behavior of tetragonal edingtonite |
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Sample at P = 4.611 GPa |
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_database_code_amcsd 0003532 |
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9.3466 9.3466 6.42705 90 90 90 P-42_1m |
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atom x y z occ Uiso |
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Ba1 .5 .0 .64515 .89 .01287 |
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SiT1 .0 .0 .0 .60 .0170 |
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AlT1 .0 .0 .0 .40 .0170 |
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SiT2 -.17921 .08614 .38026 .61 .0139 |
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AlT2 -.17921 .08614 .38026 .39 .0139 |
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O1 .1588 .3411 .6303 .0153 |
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O23 -.0508 .1909 .4544 .0236 |
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O45 -.1480 .0230 .1438 .0203 |
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Wat1 .1851 .3148 .1613 .74 .0106 |
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Wat2 .3757 .1243 -.0170 .92 .0446 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Edingtonite |
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Stahl K, Hanson J C |
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European Journal of Mineralogy 10 (1998) 221-228 |
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An in situ study of the edingtonite dehydration process from |
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X-ray synchrotron powder diffraction |
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Sample: 310 K |
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_database_code_amcsd 0006714 |
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9.5374 9.6127 6.5233 90 90 90 P2_12_12 |
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atom x y z occ Biso |
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Ba .5 0 .6322 .9 2.4 |
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Ca .5 0 .6322 .1 2.4 |
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Al .0887 .1680 .6241 1.6 |
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Si1 0 0 .0052 1.6 |
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Si2 -.1755 .0952 .3865 1.6 |
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O1 .1751 .3229 .6233 1.1 |
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O2 -.0565 .2000 .4667 1.1 |
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O3 .1855 .0360 .5322 1.1 |
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O4 .0359 .1346 .8737 1.1 |
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O5 -.1348 .0399 .1569 1.1 |
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Wat1 .1682 .3265 .1378 .73 3.0 |
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Wat2 .3862 .1258 -.0190 .81 3.0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Edingtonite |
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Stahl K, Hanson J C |
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European Journal of Mineralogy 10 (1998) 221-228 |
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An in situ study of the edingtonite dehydration process from |
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X-ray synchrotron powder diffraction |
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Sample: 396 K |
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_database_code_amcsd 0006715 |
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9.4903 9.5690 6.5290 90 90 90 P2_12_12 |
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atom x y z occ Biso |
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Ba .5 0 .6284 .9 2.7 |
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Ca .5 0 .6284 .1 2.7 |
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Al .0872 .1672 .6282 1.7 |
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Si1 0 0 .0054 1.7 |
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Si2 -.1755 .0955 .3845 1.7 |
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O1 .1734 .3208 .6214 1.0 |
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O2 -.0595 .2042 .4724 1.0 |
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O3 .1834 .0346 .5352 1.0 |
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O4 .0358 .1352 .8766 1.0 |
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O5 -.1347 .0325 .1657 1.0 |
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Wat1 .1336 .3338 .1281 .49 3.7 |
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Wat2 .3886 .1292 -.0213 .74 3.7 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Edingtonite |
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Stahl K, Hanson J C |
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European Journal of Mineralogy 10 (1998) 221-228 |
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An in situ study of the edingtonite dehydration process from |
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X-ray synchrotron powder diffraction |
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Sample: 451 K |
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_database_code_amcsd 0006716 |
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9.4393 9.5089 6.5042 90 90 90 P2_12_12 |
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atom x y z occ Biso |
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Ba .5 0 .6334 .9 2.9 |
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Ca .5 0 .6334 .1 2.9 |
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Al .0872 .1712 .6351 1.7 |
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Si1 0 0 .0053 1.7 |
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Si2 -.1767 .0941 .3855 1.7 |
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O1 .1668 .3272 .6081 1.4 |
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O2 -.0567 .2054 .4711 1.4 |
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O3 .1859 .0340 .5409 1.4 |
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O4 .0237 .1387 .8747 1.4 |
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O5 -.1358 .0335 .1665 1.4 |
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Wat1 .1336 .3338 .1281 .16 4.1 |
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Wat2 .3997 .1362 -.0262 .86 4.1 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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Edingtonite |
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Stahl K, Hanson J C |
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European Journal of Mineralogy 10 (1998) 221-228 |
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An in situ study of the edingtonite dehydration process from |
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X-ray synchrotron powder diffraction |
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Sample: 643 K |
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_database_code_amcsd 0006717 |
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9.3758 9.4097 6.5377 90 90 90 P2_12_12 |
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atom x y z occ Biso |
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Ba .5 0 .6286 .9 3.0 |
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Ca .5 0 .6286 .1 3.0 |
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Al .0874 .1763 .6326 2.2 |
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Si1 0 0 .0144 2.2 |
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Si2 -.1736 .0879 .3907 2.2 |
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O1 .1702 .3383 .6194 2.0 |
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O2 -.0604 .2023 .4739 2.0 |
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O3 .1905 .0413 .5488 2.0 |
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O4 .0306 .1395 .8806 2.0 |
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O5 -.1369 .0291 .1656 2.0 |
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Wat1 .1336 .3338 .1281 .03 5.6 |
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Wat2 .4419 .0987 -.0093 .31 5.6 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Edingtonite-(Tl) |
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Taylor W |
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Mineralogical Magazine 24 (1935) 208-240 |
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An X-ray examination of substituted Edingtonites. |
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_cod_database_code 1011059 |
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_database_code_amcsd 0017959 |
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10. 10. 6.65 90 90 90 P-42_1m |
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atom x y z occ |
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Tl1 .5 0 .486 .6667 |
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Tl2 .25 .25 .894 .6667 |
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Si1 0 0 0 .5 |
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Al1 0 0 0 .5 |
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Si2 .1667 .125 .375 .625 |
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Al2 .1667 .125 .375 .375 |
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O1 .3 .2 .375 |
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O2 .028 .194 .472 |
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O3 .111 .061 .139 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Edingtonite |
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Mazzi F, Galli E, Gottardi G |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1984 (1984) 373-382 |
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Crystal structure refinement of two tetragonal edingtonites |
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Locality: Ice River, British Columbia, Canada |
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_database_code_amcsd 0014790 |
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9.581 9.581 6.526 90 90 90 P-42_1m |
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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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Ba1 .5 0 .360719 .928 .003593 .003593 .010515 -.00061 0 0 |
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K2 .5 0 .430858 .048 .001444 .001444 .000111 -.000727 0 0 |
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SiT1 0 0 0 .613 .001953 .001953 .004057 0 0 0 |
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AlT1 0 0 0 .390 .001953 .001953 .004057 0 0 0 |
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SiT2 -.173413 .09336 .381197 .613 .001675 .002050 .004109 .00022 .000007 .000084 |
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AlT2 -.173413 .09336 .381197 .390 .001675 .002050 .004109 .00022 .000007 .000084 |
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O1 .173445 .326555 .623191 .002752 .002752 .008716 -.000367 -.000018 .000018 |
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O2/3 -.044686 .196214 .465426 .003493 .003579 .007714 -.00046 -.000859 .000419 |
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O4/5 -.137196 .038225 .144283 .00314 .004674 .007359 .000254 .000524 -.000674 |
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Ow1 .1753 .3247 .1448 .918 3.05 |
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Ow2 .3793 .1207 -.0211 .933 4.17 |
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H1 .2385 .3693 .0594 .918 3.5 |
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H2 .4134 .2020 .0435 .933 4.5 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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Edingtonite |
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Mazzi F, Galli E, Gottardi G |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1984 (1984) 373-382 |
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Crystal structure refinement of two tetragonal edingtonites |
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Locality: Old Kilpatrick, Dumbartonshire, Scotland |
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_database_code_amcsd 0014791 |
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9.584 9.584 6.524 90 90 90 P-42_1m |
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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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Ba1 .5 0 .640943 .879 .003331 .003331 .010308 -.000614 0 0 |
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Na2 .5 0 .568205 .030 .004547 .004547 .002643 -.000835 0 0 |
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K2 .5 0 .568205 .025 .004547 .004547 .002643 -.000835 0 0 |
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SiT1 0 0 0 .612 .001917 .001917 .003161 0 0 0 |
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AlT1 0 0 0 .388 .001917 .001917 .003161 0 0 0 |
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SiT2 -.17305 .093529 .381427 .612 .00166 .001958 .003715 .00017 .000054 .000159 |
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AlT2 -.17305 .093529 .381427 .388 .00166 .001958 .003715 .00017 .000054 .000159 |
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O1 .174051 .325949 .622628 .002778 .002778 .008907 -.000406 -.000132 .000132 |
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O2/3 -.044376 .195859 .465087 .003419 .003737 .006999 -.000617 -.000995 .00054 |
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O4/5 -.137298 .03829 .144575 .003129 .004929 .006965 .000408 .00077 -.000374 |
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Ow1 .1747 .3253 .1445 .939 3.20 |
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Ow2 .3790 .1210 -.0195 .936 4.35 |
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H1 .2385 .3693 .0594 .939 3.5 |
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H2 .4134 .2020 .0435 .936 4.5 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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