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Fe9.96 H2.47 Na1.61 O17.97 Zn0.99 |
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Nicolopoulos S, Vincent H, Anne M, Joubert J |
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Journal of Solid State Chemistry 87 (1990) 298-307 |
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Variation in crystal structure, ionic conductivity and magnetic |
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properties with the water uptake of a new hydrated sodium beta ferrite |
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_cod_database_code 1008479 |
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_database_code_amcsd 0016379 |
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5.9401 5.9401 35.731 90 90 120 R-3m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe1 .16949 .83051 .93028 .999 .00446 .00446 .00607 .00231 .00031 -.00031 |
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Fe2 0 0 .35066 .495 .00386 .00386 .00315 .00193 0 0 |
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Fe3 0 0 .44981 .990 .00431 .00431 .00257 .00216 0 0 |
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Fe4 0 0 0 .996 .00399 .00399 .00254 .00199 0 0 |
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O1 .15482 .84518 .03398 .984 .00923 .00923 .00387 .00477 -.00038 .00038 |
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O2 .16413 .83587 .23612 .984 .00530 .00530 .00584 .00248 .00124 -.00124 |
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O3 0 0 .29680 .990 .00063 .00063 .00791 .00032 0 0 |
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O4 0 0 .09631 .990 .00803 .00803 .00775 .00402 0 0 |
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O5 .02269 .97731 .49851 .237 |
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O6 .5 .5 .5 .160 |
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O7 .7332 .2668 .16322 .050 |
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Na1 .7538 .2462 .16740 .118 |
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Na2 0 0 .17254 .450 |
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Zn1 0 0 .35066 .495 .00386 .00386 .00315 .00193 0 0 |
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