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H18 Na6 O30 P6 Te |
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Boudjada N, Lambert Andron B |
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Zeitschrift fur Kristallographie 172 (1985) 45-53 |
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Neutron structural refinement of Te (O H)6 (Na3 P3 O9)2 (H2O)6, |
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study of hydrogen bonds |
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_cod_database_code 1008321 |
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_database_code_amcsd 0016236 |
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11.67 11.67 12.12 90 90 120 P6_3/m |
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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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Te1 0 0 0 .0300 .0300 .0621 .0150 0 0 |
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P1 .4980 .7477 .4930 .0180 .0218 .0119 .0095 .0002 .0028 |
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Na1 .131 .5709 .25 .023 .0148 .0323 .0075 0 0 |
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Na2 .1532 .8709 .25 .0168 .0276 .0429 .0081 0 0 |
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O1 .2382 .4808 .1280 .0260 .0230 .0221 .0096 .0016 .0029 |
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O2 .4033 .5947 .5263 .0161 .0196 .0191 .0082 -.0018 .0025 |
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O3 .6122 .8045 .5696 .0151 .0274 .0231 .0068 -.0048 -.0033 |
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O4 .1367 .0017 .0932 .0470 .0801 .0305 .0504 -.0128 -.0128 |
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O5 .3833 .0378 .25 .0349 .0161 .0309 .0096 0 0 |
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O6 .3509 .3264 .25 .0312 .0358 .0298 .0217 0 0 |
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H1 .3992 .0939 .1874 .0623 .0480 .0316 .0287 .0058 .0094 |
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H3 .2105 .0641 .0732 .0704 .0473 .0362 .0377 -.0058 -.0013 |
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Sr2VO4 |
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Cyrot M, Lambert Andron B, Soubeyroux J, Rey M, Dehauht P, |
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Cyrot Lackmann F, Fourcaudot G, Beille J, Tholence J |
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Journal of Solid State Chemistry 85 (1990) 321-325 |
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Properties of a new perovskite oxide Sr2VO4 |
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_cod_database_code 1008477 |
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_database_code_amcsd 0016377 |
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3.8340 3.8340 12.5874 90 90 90 I4/mmm |
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atom x y z |
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Sr 0 0 .35438 |
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V 0 0 0 |
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O1 0 .5 0 |
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O2 0 0 .15778 |
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Ba Co1.8 Fe16.2 O27 |
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Collomb A, Lambert Andron B, Boucherle J, Samaras D |
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Physica Status Solidi, Sectio A: Applied Research 96 (1986) 385-395 |
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Crystal structure and Cobalt location in the W-type hexagonal ferrite |
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(Ba) Co2-W. |
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_cod_database_code 1008345 |
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_database_code_amcsd 0016256 |
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5.9043 5.9043 32.910 90 90 120 P6_3/mmc |
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atom x y z occ |
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Ba1 0 0 .25 |
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Fe1 1/3 2/3 -.24469 .5 |
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Fe2 1/3 2/3 -.42607 .88 |
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Co1 1/3 2/3 -.42607 .12 |
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Fe3 .5 0 0 .88 |
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Co2 .5 0 0 .12 |
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Fe4 0 0 .05587 .88 |
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Co3 0 0 .05587 .12 |
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Fe5 1/3 2/3 .09293 .88 |
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Co4 1/3 2/3 .09293 .12 |
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Fe6 1/3 2/3 .20794 |
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Fe7 -.16464 -.32927 .15017 .88 |
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Co5 -.16464 -.32927 .15017 .12 |
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O1 0 0 .11267 |
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O2 1/3 2/3 .03487 |
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O3 1/3 2/3 .32024 |
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O4 .4857 .9714 .25 |
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O5 -.5116 -.0232 .1103 |
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O6 -.1750 -.3500 .03617 |
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O7 .1642 .3283 .17904 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ba Co1.883 Fe16.12 O27 |
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Collomb A, Lambert Andron B, Boucherle J, Samaras D |
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Physica Status Solidi, Sectio A: Applied Research 96 (1986) 385-395 |
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Crystal structure and Cobalt location in the W-type hexagonal ferrite |
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(Ba) Co2-W. |
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_cod_database_code 1008346 |
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_database_code_amcsd 0016257 |
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5.9043 5.9043 32.910 90 90 120 P6_3/mmc |
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atom x y z occ |
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Ba1 0 0 .25 |
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Fe1 1/3 2/3 -.2423 .5 |
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Fe2 1/3 2/3 -.4263 .88 |
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Co1 1/3 2/3 -.4263 .12 |
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Fe3 .5 0 0 .537 |
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Co2 .5 0 0 .463 |
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Fe4 0 0 .0555 .916 |
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Co3 0 0 .0555 .084 |
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Fe5 1/3 2/3 .0930 .957 |
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Co4 1/3 2/3 .0930 .043 |
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Fe6 1/3 2/3 .2077 |
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Fe7 -.1644 -.3288 .15015 |
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O1 0 0 .1134 |
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O2 1/3 2/3 .0345 |
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O3 1/3 2/3 -.3208 |
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O4 .4871 .974 .25 |
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O5 .5112 .0224 .10982 |
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O6 -.1754 -.3508 .03581 |
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O7 .1646 .3292 .17901 |
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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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