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Dissakisite-(La) |
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Lavina B, Carbonin S, Russo U, Tumiati S |
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American Mineralogist 91 (2006) 104-110 |
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The crystal structure of dissakisite-(La) and structural variations |
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after annealing of radiation damage |
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Sample: untreated DISS3 |
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_database_code_amcsd 0003995 |
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8.959 5.7226 10.232 90 115.19 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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CaA1 .75710 .75 .15068 .792 .0205 .0302 .01717 .02021 0 .01661 0 |
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ThA1 .75710 .75 .15068 .090 .0205 .0302 .01717 .02021 0 .01661 0 |
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FeA1 .75710 .75 .15068 .053 .0205 .0302 .01717 .02021 0 .01661 0 |
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LaA1 .75710 .75 .15068 .050 .0205 .0302 .01717 .02021 0 .01661 0 |
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MnA1 .75710 .75 .15068 .009 .0205 .0302 .01717 .02021 0 .01661 0 |
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UA1 .75710 .75 .15068 .003 .0205 .0302 .01717 .02021 0 .01661 0 |
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NaA1 .75710 .75 .15068 .002 .0205 .0302 .01717 .02021 0 .01661 0 |
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ErA1 .75710 .75 .15068 .001 .0205 .0302 .01717 .02021 0 .01661 0 |
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CaA2 .59801 .75 .42706 .403 .0213 .01874 .02646 .01607 0 .00485 0 |
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LaA2 .59801 .75 .42706 .265 .0213 .01874 .02646 .01607 0 .00485 0 |
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CeA2 .59801 .75 .42706 .262 .0213 .01874 .02646 .01607 0 .00485 0 |
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NdA2 .59801 .75 .42706 .038 .0213 .01874 .02646 .01607 0 .00485 0 |
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PrA2 .59801 .75 .42706 .019 .0213 .01874 .02646 .01607 0 .00485 0 |
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SrA2 .59801 .75 .42706 .010 .0213 .01874 .02646 .01607 0 .00485 0 |
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SmA2 .59801 .75 .42706 .002 .0213 .01874 .02646 .01607 0 .00485 0 |
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GdA2 .59801 .75 .42706 .001 .0213 .01874 .02646 .01607 0 .00485 0 |
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AlM1 0 0 0 .813 .0132 .01332 .01055 .01394 -.0004 .00402 -.00019 |
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CrM1 0 0 0 .148 .0132 .01332 .01055 .01394 -.0004 .00402 -.00019 |
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TiM1 0 0 0 .030 .0132 .01332 .01055 .01394 -.0004 .00402 -.00019 |
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VM1 0 0 0 .008 .0132 .01332 .01055 .01394 -.0004 .00402 -.00019 |
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ScM1 0 0 0 .002 .0132 .01332 .01055 .01394 -.0004 .00402 -.00019 |
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GaM1 0 0 0 .001 .0132 .01332 .01055 .01394 -.0004 .00402 -.00019 |
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AlM2 0 0 .5 .948 .0111 .01097 .00956 .01204 .00022 .00428 -.00081 |
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FeM2 0 0 .5 .052 .0111 .01097 .00956 .01204 .00022 .00428 -.00081 |
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MgM3 .2989 .25 .2178 .622 .0177 .01641 .01337 .01556 0 -.00068 0 |
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FeM3 .2989 .25 .2178 .299 .0177 .01641 .01337 .01556 0 -.00068 0 |
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AlM3 .2989 .25 .2178 .054 .0177 .01641 .01337 .01556 0 -.00068 0 |
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ZnM3 .2989 .25 .2178 .015 .0177 .01641 .01337 .01556 0 -.00068 0 |
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NiM3 .2989 .25 .2178 .010 .0177 .01641 .01337 .01556 0 -.00068 0 |
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Si1 .3376 .75 .0403 .990 .0113 .01169 .0102 .01094 0 .00378 0 |
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Al1 .3376 .75 .0403 .007 .0113 .01169 .0102 .01094 0 .00378 0 |
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P1 .3376 .75 .0403 .003 .0113 .01169 .0102 .01094 0 .00378 0 |
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Si2 .6843 .25 .2764 .990 .0131 .01419 .01087 .01413 0 .00603 0 |
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Al2 .6843 .25 .2764 .007 .0131 .01419 .01087 .01413 0 .00603 0 |
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P2 .6843 .25 .2764 .003 .0131 .01419 .01087 .01413 0 .00603 0 |
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Si3 .1859 .75 .3203 .990 .0105 .00982 .01227 .01024 0 .00518 0 |
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Al3 .1859 .75 .3203 .007 .0105 .00982 .01227 .01024 0 .00518 0 |
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P3 .1859 .75 .3203 .003 .0105 .00982 .01227 .01024 0 .00518 0 |
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O1 .2334 .9910 .0322 .0201 .01485 .01519 .03112 .00298 .01072 .00404 |
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O2 .3084 .9771 .3596 .0193 .0207 .02209 .01697 -.00789 .00972 -.0041 |
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O3 .7935 .0144 .3373 .0229 .02259 .01304 .02262 .00164 -.00036 -.00212 |
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O4 .0560 .25 .1292 .0159 .01544 .01516 .01551 0 .00497 0 |
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O5 .0456 .75 .1475 .0140 .01496 .01661 .00959 0 .00433 0 |
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O6 .0684 .75 .4084 .0166 .0215 .01537 .01895 0 .01438 0 |
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O7 .5110 .75 .1780 .0222 .01817 .02273 .0165 0 -.00136 0 |
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O8 .5331 .25 .3189 .0364 .03153 .04471 .04224 0 .02456 0 |
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O9 .6188 .25 .1006 .0314 .03736 .04419 .01715 0 .01596 0 |
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O10 .0843 .25 .4306 .0178 .01781 .01461 .02443 0 .01245 0 |
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H .159 .25 .305 .05 |
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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) |
| |
|
Dissakisite-(La) |
| |
Lavina B, Carbonin S, Russo U, Tumiati S |
|
American Mineralogist 91 (2006) 104-110 |
|
The crystal structure of dissakisite-(La) and structural variations |
|
after annealing of radiation damage |
|
Sample: DISS3 annealed 700 C for 3 hours |
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_database_code_amcsd 0003996 |
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8.931 5.699 10.182 90 115.16 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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CaA1 .75676 .75 .15098 .792 .01441 .0219 .01197 .01385 0 .01192 0 |
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ThA1 .75676 .75 .15098 .090 .01441 .0219 .01197 .01385 0 .01192 0 |
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FeA1 .75676 .75 .15098 .053 .01441 .0219 .01197 .01385 0 .01192 0 |
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LaA1 .75676 .75 .15098 .050 .01441 .0219 .01197 .01385 0 .01192 0 |
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MnA1 .75676 .75 .15098 .009 .01441 .0219 .01197 .01385 0 .01192 0 |
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UA1 .75676 .75 .15098 .003 .01441 .0219 .01197 .01385 0 .01192 0 |
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NaA1 .75676 .75 .15098 .002 .01441 .0219 .01197 .01385 0 .01192 0 |
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ErA1 .75676 .75 .15098 .001 .01441 .0219 .01197 .01385 0 .01192 0 |
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CaA2 .59815 .75 .42772 .403 .01512 .01314 .01802 .01193 0 .00314 0 |
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LaA2 .59815 .75 .42772 .265 .01512 .01314 .01802 .01193 0 .00314 0 |
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CeA2 .59815 .75 .42772 .262 .01512 .01314 .01802 .01193 0 .00314 0 |
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NdA2 .59815 .75 .42772 .038 .01512 .01314 .01802 .01193 0 .00314 0 |
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PrA2 .59815 .75 .42772 .019 .01512 .01314 .01802 .01193 0 .00314 0 |
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SrA2 .59815 .75 .42772 .010 .01512 .01314 .01802 .01193 0 .00314 0 |
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SmA2 .59815 .75 .42772 .002 .01512 .01314 .01802 .01193 0 .00314 0 |
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GdA2 .59815 .75 .42772 .001 .01512 .01314 .01802 .01193 0 .00314 0 |
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AlM1 0 0 0 .813 .00884 .00864 .00667 .00919 -.00025 .00185 -.0001 |
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CrM1 0 0 0 .148 .00884 .00864 .00667 .00919 -.00025 .00185 -.0001 |
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TiM1 0 0 0 .030 .00884 .00864 .00667 .00919 -.00025 .00185 -.0001 |
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VM1 0 0 0 .008 .00884 .00864 .00667 .00919 -.00025 .00185 -.0001 |
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ScM1 0 0 0 .002 .00884 .00864 .00667 .00919 -.00025 .00185 -.0001 |
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GaM1 0 0 0 .001 .00884 .00864 .00667 .00919 -.00025 .00185 -.0001 |
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AlM2 0 0 .5 .948 .00755 .00718 .00583 .00855 .00023 .00228 -.00049 |
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FeM2 0 0 .5 .052 .00755 .00718 .00583 .00855 .00023 .00228 -.00049 |
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MgM3 .29705 .25 .21835 .622 .01147 .00976 .00772 .01071 0 -.00164 0 |
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FeM3 .29705 .25 .21835 .299 .01147 .00976 .00772 .01071 0 -.00164 0 |
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AlM3 .29705 .25 .21835 .054 .01147 .00976 .00772 .01071 0 -.00164 0 |
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ZnM3 .29705 .25 .21835 .015 .01147 .00976 .00772 .01071 0 -.00164 0 |
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NiM3 .29705 .25 .21835 .010 .01147 .00976 .00772 .01071 0 -.00164 0 |
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Si1 .33785 .75 .04123 .990 .00789 .00779 .00657 .00817 0 .00227 0 |
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Al1 .33785 .75 .04123 .007 .00789 .00779 .00657 .00817 0 .00227 0 |
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P1 .33785 .75 .04123 .003 .00789 .00779 .00657 .00817 0 .00227 0 |
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Si2 .68312 .25 .27672 .990 .00891 .01004 .0074 .00968 0 .00459 0 |
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Al2 .68312 .25 .27672 .007 .00891 .01004 .0074 .00968 0 .00459 0 |
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P2 .68312 .25 .27672 .003 .00891 .01004 .0074 .00968 0 .00459 0 |
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Si3 .1859 .75 .32015 .990 .00693 .0067 .00799 .00644 0 .00312 0 |
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Al3 .1859 .75 .32015 .007 .00693 .0067 .00799 .00644 0 .00312 0 |
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P3 .1859 .75 .32015 .003 .00693 .0067 .00799 .00644 0 .00312 0 |
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O1 .23395 .99227 .03345 .01446 .01058 .00993 .02286 .00204 .0071 .00269 |
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O2 .30815 .9775 .35892 .01408 .01486 .01609 .01226 -.00611 .00671 -.00397 |
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O3 .7928 .01355 .33786 .01681 .01576 .00879 .01748 .00062 -.00103 -.00169 |
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O4 .05441 .25 .12967 .01137 .01087 .01073 .01136 0 .00362 0 |
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O5 .04534 .75 .14737 .0097 .00826 .0112 .00781 0 .00165 0 |
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O6 .06627 .75 .40663 .01269 .01582 .01211 .0152 0 .01147 0 |
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O7 .51268 .75 .17843 .01612 .01234 .01625 .01292 0 -.00124 0 |
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O8 .5318 .25 .3199 .02888 .02711 .03586 .03543 0 .02461 0 |
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O9 .61971 .25 .10057 .0265 .03222 .03909 .01193 0 .01299 0 |
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O10 .08335 .25 .42807 .01243 .01196 .01146 .01549 0 .00741 0 |
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H .154 .25 .305 .05 |
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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) |
| |
|
Dissakisite-(La) |
| |
Lavina B, Carbonin S, Russo U, Tumiati S |
|
American Mineralogist 91 (2006) 104-110 |
|
The crystal structure of dissakisite-(La) and structural variations |
|
after annealing of radiation damage |
|
Sample: DISS3 annealed 700 C for 18 (3+15) hours |
|
_database_code_amcsd 0003997 |
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8.934 5.6939 10.180 90 115.153 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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CaA1 .75687 .75 .15098 .792 .01401 .02087 .01221 .01304 0 .01115 0 |
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ThA1 .75687 .75 .15098 .090 .01401 .02087 .01221 .01304 0 .01115 0 |
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FeA1 .75687 .75 .15098 .053 .01401 .02087 .01221 .01304 0 .01115 0 |
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LaA1 .75687 .75 .15098 .050 .01401 .02087 .01221 .01304 0 .01115 0 |
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MnA1 .75687 .75 .15098 .009 .01401 .02087 .01221 .01304 0 .01115 0 |
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UA1 .75687 .75 .15098 .003 .01401 .02087 .01221 .01304 0 .01115 0 |
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NaA1 .75687 .75 .15098 .002 .01401 .02087 .01221 .01304 0 .01115 0 |
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ErA1 .75687 .75 .15098 .001 .01401 .02087 .01221 .01304 0 .01115 0 |
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CaA2 .59811 .75 .42772 .403 .01472 .01262 .01781 .01125 0 .0027 0 |
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LaA2 .59811 .75 .42772 .265 .01472 .01262 .01781 .01125 0 .0027 0 |
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CeA2 .59811 .75 .42772 .262 .01472 .01262 .01781 .01125 0 .0027 0 |
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NdA2 .59811 .75 .42772 .038 .01472 .01262 .01781 .01125 0 .0027 0 |
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PrA2 .59811 .75 .42772 .019 .01472 .01262 .01781 .01125 0 .0027 0 |
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SrA2 .59811 .75 .42772 .010 .01472 .01262 .01781 .01125 0 .0027 0 |
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SmA2 .59811 .75 .42772 .002 .01472 .01262 .01781 .01125 0 .0027 0 |
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GdA2 .59811 .75 .42772 .001 .01472 .01262 .01781 .01125 0 .0027 0 |
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AlM1 0 0 0 .813 .00884 .0083 .00715 .00886 -.00025 .00151 -.00001 |
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CrM1 0 0 0 .148 .00884 .0083 .00715 .00886 -.00025 .00151 -.00001 |
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TiM1 0 0 0 .030 .00884 .0083 .00715 .00886 -.00025 .00151 -.00001 |
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VM1 0 0 0 .008 .00884 .0083 .00715 .00886 -.00025 .00151 -.00001 |
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ScM1 0 0 0 .002 .00884 .0083 .00715 .00886 -.00025 .00151 -.00001 |
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GaM1 0 0 0 .001 .00884 .0083 .00715 .00886 -.00025 .00151 -.00001 |
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AlM2 0 0 .5 .948 .00749 .00702 .00599 .00822 .00004 .00205 -.00066 |
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FeM2 0 0 .5 .052 .00749 .00702 .00599 .00822 .00004 .00205 -.00066 |
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MgM3 .29668 .25 .21849 .622 .01028 .0085 .0077 .00913 0 -.00156 0 |
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FeM3 .29668 .25 .21849 .299 .01028 .0085 .0077 .00913 0 -.00156 0 |
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AlM3 .29668 .25 .21849 .054 .01028 .0085 .0077 .00913 0 -.00156 0 |
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ZnM3 .29668 .25 .21849 .015 .01028 .0085 .0077 .00913 0 -.00156 0 |
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NiM3 .29668 .25 .21849 .010 .01028 .0085 .0077 .00913 0 -.00156 0 |
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Si1 .33797 .75 .04138 .990 .00747 .00703 .00667 .00735 0 .00174 0 |
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Al1 .33797 .75 .04138 .007 .00747 .00703 .00667 .00735 0 .00174 0 |
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P1 .33797 .75 .04138 .003 .00747 .00703 .00667 .00735 0 .00174 0 |
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Si2 .68326 .25 .27692 .990 .00848 .00924 .00753 .00885 0 .00402 0 |
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Al2 .68326 .25 .27692 .007 .00848 .00924 .00753 .00885 0 .00402 0 |
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P2 .68326 .25 .27692 .003 .00848 .00924 .00753 .00885 0 .00402 0 |
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Si3 .18599 .75 .32023 .990 .00679 .00619 .00818 .00624 0 .00288 0 |
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Al3 .18599 .75 .32023 .007 .00679 .00619 .00818 .00624 0 .00288 0 |
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P3 .18599 .75 .32023 .003 .00679 .00619 .00818 .00624 0 .00288 0 |
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O1 .23425 .99205 .03383 .01396 .01053 .01019 .02062 .00192 .0061 .00234 |
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O2 .30827 .97703 .35893 .01365 .014 .01617 .01158 -.00561 .00622 -.00331 |
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O3 .79292 .01358 .3381 .01601 .01398 .00825 .01704 .00079 -.00185 -.00114 |
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O4 .05402 .25 .12943 .011 .00917 .01116 .01107 0 .00275 0 |
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O5 .04522 .75 .14761 .00944 .00819 .01072 .00718 0 .00111 0 |
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O6 .06646 .75 .4068 .01226 .01447 .01176 .01507 0 .01064 0 |
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O7 .51249 .75 .1782 .0159 .01158 .01717 .01226 0 -.00139 0 |
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O8 .53169 .25 .3199 .02821 .02525 .03662 .0332 0 .02247 0 |
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O9 .62027 .25 .10062 .02606 .03107 .03781 .01264 0 .01249 0 |
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O10 .08357 .25 .42827 .01198 .01074 .01186 .014 0 .0059 0 |
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H .156 .25 .303 .05 |
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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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Total number of retrieved datasets: 