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Fe2SiS4 |
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Vincent H, Bertaut E |
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Acta Crystallographica B32 (1976) 1749-1755 |
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Polyhedral deformations in olivine-type compounds and the crystal |
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structure of Fe2 Si S4 and Fe2 Ge S4 |
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_cod_database_code 1008006 |
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_database_code_amcsd 0015954 |
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12.407 7.198 5.812 90 90 90 Pnma |
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atom x y z |
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S1 .4079 .25 .7284 |
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S2 .5692 .25 .2383 |
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S3 .3335 .0173 .2487 |
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Si1 .4111 .25 .0916 |
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Fe1 0 0 0 |
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Fe2 .2299 .25 .5098 |
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Fe2GeS4 |
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Vincent H, Bertaut E |
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Acta Crystallographica B32 (1976) 1749-1755 |
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Polyhedral deformations in olivine-type compounds and the crystal |
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structure of Fe2 Si S4 and Fe2 Ge S4 |
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_cod_database_code 1008007 |
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_database_code_amcsd 0015955 |
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12.467 7.213 5.902 90 90 90 Pnma |
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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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S1 .4076 .25 .7113 .0084 .0093 .0073 0 .0005 0 |
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S2 .5729 .25 .2441 .0060 .0108 .0098 0 .0002 0 |
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S3 .3325 .0099 .2520 .0092 .0097 .0089 -.0021 .0002 -.0020 |
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Ge1 .4110 .25 .0832 .0062 .0079 .0058 0 .0003 0 |
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Fe1 0 0 0 .0092 .0097 .0092 .0012 .0000 -.0005 |
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Fe2 .2294 .25 .5067 .0069 .0105 .0103 0 -.0003 0 |
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B Co14 Nd2 |
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Le Roux D, Vincent H, L'Heritier P, Fruchart R |
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Journal de Physique 6 (1985) 243-247 |
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Crystallographic and magnetic studies of Nd2 Co14 B and Y2 Co14 B |
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_cod_database_code 1008947 |
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_database_code_amcsd 0016815 |
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8.646 8.646 11.864 90 90 90 P4_2/mnm |
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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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Nd1 .14414 .14414 0 .0062 .0062 .0059 -.0018 0 0 |
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Nd2 .72471 -.72471 0 .0062 .0062 .0052 -.0014 0 0 |
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Co1 0 .5 0 .0077 .0088 .0066 -.0001 0 0 |
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Co2 .72375 .06925 .37357 .0048 .0069 .0072 -.0011 -.0019 -.0001 |
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Co3 .46300 .13985 .32192 .0054 .0051 .0059 .0007 -.0006 .0010 |
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Co4 .18165 .18165 .25336 .0064 .0064 .0041 .0009 -.0003 .0003 |
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Co5 .40123 .40123 .29495 .0059 .0059 .0063 .0011 .0010 .0010 |
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Co6 0 0 .38420 .0057 .0057 .0064 .0026 0 0 |
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B1 .37665 .37665 0 .0103 .0103 .0074 .0018 0 0 |
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Ba1.14 K0.72 S4 V |
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Vincent H, Anne M, Chang A, Marcus J |
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Journal of Solid State Chemistry 61 (1986) 332-337 |
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Synthese et structure cristalline de Ba1.14 K.72 V S4 |
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_cod_database_code 1008319 |
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_database_code_amcsd 0016234 |
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9.158 12.144 6.729 90 90 90 Pna2_1 |
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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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Ba1 .02618 .33022 .25 .0163 .0158 .0255 .0015 .0055 .0065 |
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K1 .3585 .5954 .2560 .72 .0257 .0553 .0314 -.0078 .0015 .0032 |
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Ba2 .3585 .5954 .2560 .14 .0257 .0553 .0314 -.0078 .0015 .0032 |
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V1 .76319 .57831 .2548 .0127 .0145 .0157 .0009 .0042 .0033 |
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S1 -.0016 .5950 .2468 .0144 .0219 .0322 -.0029 .0013 .0065 |
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S2 .1971 .0921 .2458 .0196 .0170 .0313 .0039 -.0008 .0111 |
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S3 .3291 .3439 .0053 .0148 .0344 .0255 .0080 .0006 .0126 |
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S4 .1758 .8431 -.0014 .0436 .0457 .0216 -.0116 -.0002 -.0136 |
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Fe10.99 Na2.4 O16.03 |
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Vincent H, Bekka A, Anne M, Joubert J |
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Journal of Solid State Chemistry 81 (1989) 181-191 |
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Synthese, structure cristalline,conductivite ionique, et proprietes |
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magnetiques d'un nouveau ferrite de type alumine beta Na1.3 K.6 Fe10.1 Zn.9 O17 |
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_cod_database_code 1008437 |
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_database_code_amcsd 0016343 |
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5.947 5.947 35.83 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 .16889 -.16889 -.06991 .0050 .0050 .0018 .0027 .0003 -.0003 |
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Fe2 0 0 .35041 .999 .0047 .0047 .0005 .0024 0 0 |
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Fe3 0 0 .44982 .0054 .0054 .0001 .0027 0 0 |
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Fe4 0 0 0 .99 .0051 .0051 .0001 .0026 0 0 |
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O1 .15604 -.15604 .03389 .92 .0047 .0047 .0001 .0013 -.0008 .0008 |
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O2 .16404 -.16404 .23599 .95 .0045 .0045 .0032 .0024 .0009 -.0009 |
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O3 0 0 .29639 .987 .0055 .0055 .0030 .0028 0 0 |
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O4 0 0 .09588 .918 .0040 .0040 .0015 .0020 0 0 |
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O5 0 0 .5 .0423 .0423 .0024 .0212 0 0 |
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Na1 .700 -.700 .1635 .40 .1298 .1298 .0295 -.0856 .0502 -.0502 |
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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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Mn2 O4 Ti |
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Bertaut E, Vincent H |
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Solid State Communications 6 (1968) 269-275 |
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Etude par diffraction neutronique de la forme ordonnee de l'orthotitanate |
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de manganese - structure cristalline et structure magnetique |
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_cod_database_code 1008093 |
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_database_code_amcsd 0016035 |
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6.170 6.170 8.564 90 90 90 P4_322 |
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atom x y z |
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O1 .272 .011 .009 |
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O2 .292 .521 .015 |
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Ti1 .5 .247 0 |
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Mn1 0 .242 0 |
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Mn2 .241 .241 .625 |
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| Download AMC data (View Text File)
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Ge Mn2 S4 |
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Duc Tran Qui, Vincent H, Bertaut E, Qui Vu Van |
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Solid State Communications 7 (1969) 641-645 |
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Etude par Diffraction Neutronique de la Structure Nucleaire et |
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Magnetique de l'Orthothiogermanate de Manganese |
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_cod_database_code 1008109 |
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_database_code_amcsd 0016051 |
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12.796 7.454 6.034 90 90 90 Pnma |
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atom x y z |
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Mn1 0 0 0 |
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Mn2 .266 .25 .496 |
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Ge1 .408 .25 .089 |
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S1 .322 .014 .243 |
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S2 .405 .25 .732 |
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S3 .566 .25 .257 |
|
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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