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KFe3(AsO4)2(HAsO4)2 |
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Schwendtner K, Kolitsch U |
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European Journal of Mineralogy 19 (2007) 399-409 |
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Two new structure types: KFe3(AsO4)2(HAsO4)2 and K(H2O)M3+(H1.5AsO4)2(H2AsO4) |
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(M3+ = Fe, Ga, In) - synthesis, crystal structure and spectroscopy |
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_database_code_amcsd 0007220 |
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18.975 6.5850 10.955 90 100.42 90 C2/c |
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atom x y z Uiso |
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K 0 .16102 .25 .0228 |
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Fe1 .25 .75 .50 .00839 |
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Fe2 .14899 .48042 .22501 .00839 |
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As1 .077667 .66239 .44770 .00828 |
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As2 .302535 .48144 .27033 .00790 |
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O1 .07989 .4942 .3347 .0147 |
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O2 .14863 .8167 .4652 .0110 |
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O3 .07116 .5440 .5802 .0133 |
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O4 .00658 .8266 .4090 .0146 |
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O5 .35359 .6794 .2527 .0122 |
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O6 .35353 .2790 .3129 .0124 |
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O7 .24002 .5260 .3637 .0098 |
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O8 .23771 .4425 .1395 .0099 |
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H -.0364 .772 .405 .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
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K(H2O)Fe(H1.5AsO4)2(H2AsO4) |
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Schwendtner K, Kolitsch U |
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European Journal of Mineralogy 19 (2007) 399-409 |
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Two new structure types: KFe3(AsO4)2(HAsO4)2 and K(H2O)M3+(H1.5AsO4)2(H2AsO4) |
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(M3+ = Fe, Ga, In) - synthesis, crystal structure and spectroscopy |
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_database_code_amcsd 0007221 |
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4.700 8.712 13.828 90 94.86 90 P2/n |
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atom x y z occ Uiso |
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K .6183 .9948 .0091 .5 .0469 |
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O7 .75 .3474 .25 .0248 |
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Fe .75 .77744 .25 .0163 |
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As1 .20590 .65359 .10111 .01445 |
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As2 .25 .03815 .25 .01560 |
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O1 -.0235 .6161 .1840 .0180 |
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O2 .4726 .7755 .1327 .0178 |
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O3 .3265 .4832 .0636 .0234 |
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O4 .0411 .7457 .0017 .0264 |
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O5 -.0200 .9440 .1916 .0178 |
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O6 .1328 .1558 .3381 .0263 |
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H1 .008 .230 .322 .035 |
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H2 -.058 .668 -.026 .026 |
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H3 .8227 .4136 .2072 .06 |
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H4 .4578 .5049 .0280 .5 .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
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K(H2O)Ga(H1.5AsO4)2(H2AsO4) |
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Schwendtner K, Kolitsch U |
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European Journal of Mineralogy 19 (2007) 399-409 |
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Two new structure types: KFe3(AsO4)2(HAsO4)2 and K(H2O)M3+(H1.5AsO4)2(H2AsO4) |
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(M3+ = Fe, Ga, In) - synthesis, crystal structure and spectroscopy |
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_database_code_amcsd 0007222 |
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4.641 8.696 13.772 90 94.71 90 P2/n |
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atom x y z occ Uiso |
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K .6221 .9948 .00933 .5 .0402 |
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O7 .75 .3416 .25 .0223 |
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Ga .75 .77461 .25 .01229 |
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As1 .20831 .65344 .10342 .01268 |
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As2 .25 .03104 .25 .01297 |
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O1 -.0245 .6144 .18641 .0151 |
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O2 .4767 .7766 .13442 .0152 |
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O3 .3294 .4830 .0651 .0209 |
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O4 .0413 .7449 .00288 .0236 |
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O5 -.0236 .9376 .19101 .0144 |
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O6 .1345 .1499 .33841 .0228 |
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H1 -.009 .212 .317 .10 |
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H2 -.076 .675 -.026 .08 |
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H3 .842 .407 .217 .034 |
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H4 .464 .504 .024 .5 .02 |
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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
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K(H2O)In(H1.5AsO4)2(H2AsO4) |
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Schwendtner K, Kolitsch U |
| |
European Journal of Mineralogy 19 (2007) 399-409 |
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Two new structure types: KFe3(AsO4)2(HAsO4)2 and K(H2O)M3+(H1.5AsO4)2(H2AsO4) |
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(M3+ = Fe, Ga, In) - synthesis, crystal structure and spectroscopy |
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_database_code_amcsd 0007223 |
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4.798 8.832 13.971 90 94.68 90 P2/n |
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atom x y z occ Uiso |
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K .6556 .9940 .0081 .5 .0363 |
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O7 .75 .3551 .25 .0226 |
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In .75 .78143 .25 .01728 |
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As1 .20417 .65205 .09643 .01291 |
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As2 .25 .05180 .25 .01479 |
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O1 -.0171 .6144 .1794 .0201 |
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O2 .4621 .7744 .1263 .0181 |
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O3 .3255 .4824 .0607 .0218 |
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O4 .0376 .7436 -.0013 .0245 |
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O5 -.0109 .9577 .1908 .0194 |
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O6 .1270 .1658 .3378 .0273 |
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H1 -.053 .183 .319 .04 |
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H2 -.122 .720 -.037 .03 |
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H3 .872 .405 .215 .02 |
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H4 .43 .49 .010 .5 .020 |
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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
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