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F6 K2 O4 S Sb2 |
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Bourgault M, Ducourant B, Bonnet B, Fourcade R |
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Journal of Solid State Chemistry 36 (1981) 183-189 |
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Structure cristalline de K2 S O4 (Sb F3)2 |
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_cod_database_code 1008122 |
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_database_code_amcsd 0016064 |
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9.225 5.632 19.3790 90 103.14 90 P2_1/c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sb1 .32310 .2414 .22201 .0097 .0189 .0188 .0028 .0125 .0011 |
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Sb2 .18599 .2801 .99948 .0097 .0222 .0209 -.0018 .0159 -.0069 |
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S1 .8697 .2621 .3779 .0087 .0147 .0202 .0012 .0118 .0031 |
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K1 .8610 .2517 .1730 .0126 .0211 .0279 .0015 .0162 .0008 |
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K2 .5196 .2517 .4251 .0103 .0337 .0276 .0059 .0207 .0069 |
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F1 .3625 .028 .3035 .0204 .0253 .0257 -.0116 .0035 .0139 |
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F2 .3896 .215 .0548 .0138 .0393 .036 .0048 -.0025 .0009 |
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F3 .2393 .444 .4353 .0192 .0187 .0324 -.0004 .0448 .0154 |
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F4 .4298 .472 .2912 .0182 .0281 .0338 -.0338 -.0102 -.0053 |
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F5 .1481 .345 .2510 .014 .0278 .0369 .0024 .0395 -.0199 |
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F6 .7069 .480 .0425 .0117 .023 .0365 -.0125 .0154 .0021 |
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O1 .740 .112 .3564 .0117 .0363 .0681 -.011 .0255 -.0358 |
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O2 .124 .934 .1778 .0224 .0539 .057 -.0416 .0606 -.0785 |
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O3 .138 .880 .0562 .0248 .045 .036 -.0445 .0298 .0297 |
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O4 .9942 .616 .1083 .0086 .0232 .032 -.0138 .0128 -.0062 |
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F2 O4 Rb S Sb |
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Fourcade R, Bourgault M, Bonnet B, Ducourant B |
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Journal of Solid State Chemistry 43 (1982) 81-86 |
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Synthese et structure du sulfate double M Sb F2 S O4 (M = Rb,Cs) |
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_cod_database_code 1008187 |
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_database_code_amcsd 0016124 |
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9.601 11.510 5.202 90 90 90 Pna2_1 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sb1 .1709 .0808 .25 .01531 .01542 .01572 -.00022 -.00178 .00103 |
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Rb1 .4859 .1595 .747 .0209 .02093 .02212 -.00366 -.00674 .0018 |
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S1 .2964 .3649 .1998 .01672 .01437 .01142 .00228 -.00036 .00332 |
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F1 .369 .062 .287 .01408 .02913 .00432 -.00806 .00095 -.01122 |
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F2 .321 .655 .081 .02039 .02593 .02094 -.00885 .00671 -.00894 |
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O1 .303 .938 .823 .03752 .03245 .03694 .02483 .00774 .02212 |
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O2 .415 .336 .364 .02501 .04001 .01699 .00968 -.00234 .01558 |
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O3 .273 .759 .610 .04731 .02186 .0205 .0235 .00919 .01183 |
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O4 .353 .422 .962 .04575 .02544 .01297 .0186 .02778 .02235 |
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Fe2 Li0.87 O3 |
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Bonnet B, Strobel P, Pernet, Gondrand M, Gros Y, Mouget C, Chabre Y |
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Materials Science Forum 91 (1992) 345-350 |
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Structural aspects of lithium insertion into gamma-Fe2O3 |
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_cod_database_code 1008561 |
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_database_code_amcsd 0016452 |
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8.4318 8.4318 8.4318 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Fe1 .5 .5 .5 .1676 |
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Li1 .5 .5 .5 .0199 |
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Fe2 0 0 0 .069 |
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Li2 0 0 0 .0888 |
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Fe3 .125 .125 .125 .0269 |
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Fe21.34 Li9.28 O32 |
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Pernet M, Strobel P, Bonnet B, Bordet P, Chabre Y |
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Solid State Ionics 66 (1993) 259-265 |
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Structural and electrochemical study of lithium insertion into gamma-Fe2O3 |
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_cod_database_code 1008636 |
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_database_code_amcsd 0016525 |
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8.4325 8.4325 8.4325 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Fe1 .5 .5 .5 .894 |
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Li1 .5 .5 .5 .106 |
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Fe2 0 0 0 .368 |
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Li2 0 0 0 .474 |
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Fe3 .125 .125 .125 .143 |
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O3 .2539 .2539 .2539 |
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Fe21.33 Li9.07 O32 |
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Pernet M, Strobel P, Bonnet B, Bordet P, Chabre Y |
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Solid State Ionics 66 (1993) 259-265 |
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Structural and electrochemical study of lithium insertion into gamma-Fe2O3 |
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_cod_database_code 1008637 |
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_database_code_amcsd 0016526 |
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8.4328 8.4328 8.4328 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Fe1 .5 .5 .5 .919 |
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Li1 .5 .5 .5 .081 |
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Fe2 0 0 0 .363 |
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Li2 0 0 0 .486 |
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Fe3 .125 .125 .125 .103 |
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O3 .2528 .2528 .2528 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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