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SbTaO4 |
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Jeitschko W, Sleight A W |
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Acta Crystallographica B30 (1974) 2088-2094 |
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Alpha stannous tungstate: Properties, crystal structure and relationship to |
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ferroelectric SbTaO4 type compounds |
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_database_code_amcsd 0009511 |
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5.6270 11.6486 4.9973 90 90 90 Pnna |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Sn .25 0 .2196 .00998 .00166 .00563 .00085 0 0 |
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W .6677 .25 .25 .00270 .00075 .00343 0 -.00030 0 |
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O1 .3765 .2987 .9988 .89 |
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O2 .1019 .3961 .6037 .64 |
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Ba2 Cu3 O6.04 Y |
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Torardi C, McCarron E, Subramanian M, Horowitz H, Michel J, Sleight A, Cox D |
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American Chemical Society: Symposium Series 351 (1987) 152-163 |
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Structure-Property Relationships for RBa2Cu3Ox Phases |
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_cod_database_code 1001431 |
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_database_code_amcsd 0011983 |
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3.8519 3.8519 11.8037 90 90 90 P4/mmm |
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atom x y z occ |
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Ba1 .5 .5 .1952 |
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Y1 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3605 |
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O1 0 0 .1518 |
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O2 0 .5 .3794 |
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O3 0 .5 0 .02 |
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Ba2 Cu3 O7.34 Y |
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Torardi C, McCarron E, Subramanian M, Horowitz H, Michel J, Sleight A, Cox D |
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American Chemical Society: Symposium Series 351 (1987) 152-163 |
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Structure-Property Relationships for RBa2Cu3Ox Phases |
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_cod_database_code 1001432 |
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_database_code_amcsd 0011984 |
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3.8657 3.8657 11.6015 90 90 90 P4/mmm |
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atom x y z occ |
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Ba1 .5 .5 .1886 |
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Y1 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3559 |
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O1 0 0 .1567 |
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O2 0 .5 .3759 |
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O3 0 .5 0 .63 |
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O4 0 0 .5 .08 |
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Ba1.5 Cu3 La1.5 O7.36 |
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Torardi C, McCarron E, Subramanian M, Horowitz H, Michel J, Sleight A, Cox D |
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American Chemical Society: Symposium Series 351 (1987) 152-163 |
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Structure-Property Relationships for RBa2Cu3Ox Phases |
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_cod_database_code 1001433 |
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_database_code_amcsd 0011985 |
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3.9024 3.9024 11.6908 90 90 90 P4/mmm |
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atom x y z occ |
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Ba1 .5 .5 .1814 .75 |
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La1 .5 .5 .1814 .25 |
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La2 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3465 |
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O1 0 0 .1562 |
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O2 0 .5 .3657 |
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O3 0 .5 0 .64 |
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O4 0 0 .5 .08 |
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Ba2 Cu3 Nd O6.85 |
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Torardi C, McCarron E, Subramanian M, Horowitz H, Michel J, Sleight A, Cox D |
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American Chemical Society: Symposium Series 351 (1987) 152-163 |
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Structure-Property Relationships for RBa2Cu3Ox Phases |
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_cod_database_code 1001434 |
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_database_code_amcsd 0011986 |
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3.8687 9.9150 11.7477 90 90 90 Pmmm |
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atom x y z occ |
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Ba1 .5 .5 .1846 |
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Nd1 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3505 |
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O1 0 0 .1559 |
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O2 0 .5 .3721 |
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O3 .5 0 .3715 |
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O4 0 .5 0 .71 |
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O5 .5 0 0 .14 |
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Ba2 Cu3 O6.92 Y |
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Torardi C, McCarron E, Subramanian M, Horowitz H, Michel J, Sleight A, Cox D |
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American Chemical Society: Symposium Series 351 (1987) 152-163 |
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Structure-Property Relationships for RBa2Cu3Ox Phases |
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_cod_database_code 1001435 |
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_database_code_amcsd 0011987 |
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3.8179 3.8801 11.6655 90 90 90 Pmmm |
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atom x y z occ |
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Ba1 .5 .5 .1847 |
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Y1 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3556 |
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O1 0 0 .1586 |
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O2 0 .5 .3784 |
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O3 .5 0 .3782 |
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O4 0 .5 0 .87 |
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O5 .5 0 0 .05 |
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Ba2 Cu3 Er O6.99 |
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Torardi C, McCarron E, Subramanian M, Horowitz H, Michel J, Sleight A, Cox D |
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American Chemical Society: Symposium Series 351 (1987) 152-163 |
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Structure-Property Relationships for RBa2Cu3Ox Phases |
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_cod_database_code 1001436 |
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_database_code_amcsd 0011988 |
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3.8123 3.8756 11.6576 90 90 90 Pmmm |
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atom x y z occ |
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Ba1 .5 .5 .1838 |
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Er1 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3563 |
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O1 0 0 .1596 |
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O2 0 .5 .3790 |
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O3 .5 0 .3791 |
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O4 0 .5 0 .89 |
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O5 .5 0 0 .10 |
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Bi3 Ga O11 Sb2 |
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Sleight A, Bouchard R |
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Inorganic Chemistry 12 (1973) 2314-2316 |
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A new cubic K Sb O3 derivative structure with interpenetrating |
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networks. Crystal structure of Bi3 Ga Sb2 O11 |
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_cod_database_code 1008051 |
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_database_code_amcsd 0015993 |
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9.4907 9.4907 9.4907 90 90 90 *Pn3 |
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.25 .25 .25 |
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atom x y z occ |
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Bi1 .3816 .3816 .3816 |
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Bi2 0 0 0 |
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Ga1 .594 .75 .25 .3333 |
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Sb1 .594 .75 .25 .6667 |
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O1 .136 .136 .136 |
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O2 .601 .25 .25 |
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O3 .594 .530 .248 |
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Serrabrancaite |
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Lightfoot P, Cheetham A K, Sleight A W |
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Inorganic Chemistry 26 (1987) 3544-3547 |
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Structure of MnPO4*H2O by synchrotron X-ray powder diffraction |
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Locality: synthetic |
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_database_code_amcsd 0012696 |
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6.912 7.470 7.357 90 112.3 90 C2/c |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mn .25 .25 0 .00446 .00291 .00145 .00094 .00114 .00039 |
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P 0 .4176 .25 .00666 .00215 .00404 0 .00287 0 |
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O1 .4588 .2014 -.0995 .42 |
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O2 .3072 -.0359 -.3473 .34 |
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O3 0 -.0995 .25 .49 |
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H .075 -.014 .197 1.00 |
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| Download AMC data (View Text File)
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Bi2O4 |
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Kumada N, Kinomura N, Woodward P M, Sleight A W |
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Journal of Solid State Chemistry 116 (1995) 281-285 |
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Crystal structure of Bi2O4 with beta-Sb2O4-type structure |
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_database_code_amcsd 0013863 |
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12.3668 5.1180 5.5670 90 107.838 90 C2/c |
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atom x y z Biso |
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Bi5+ .25 .25 0 .6 |
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Bi3+ 0 .268 .25 1.2 |
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O1 .1787 .063 .652 1.5 |
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O2 .0933 .416 .973 1.3 |
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Clinobisvanite |
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Sleight A W, Chen H-Y, Ferretti A, Cox D E |
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Materials Research Bulletin 14 (1979) 1571-1581 |
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Crystal growth and structure of BiVO4 |
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Locality: synthetic |
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Sample: T = 4.5 K |
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_database_code_amcsd 0014279 |
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5.2146 5.0842 11.7063 90 90 90.394 I2/b |
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atom x y z Biso |
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Bi 0 .25 .6363 .12 |
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V 0 .25 .139 .2 |
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O1 .1514 .5098 .2103 .30 |
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O2 .2627 .3806 .4481 .28 |
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| Download AMC data (View Text File)
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Clinobisvanite |
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Sleight A W, Chen H-Y, Ferretti A, Cox D E |
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Materials Research Bulletin 14 (1979) 1571-1581 |
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Crystal growth and structure of BiVO4 |
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Locality: synthetic |
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Sample: T = 295 K |
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_database_code_amcsd 0014280 |
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5.1935 5.0898 11.6972 90 90 90.387 I2/b |
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atom x y z Biso |
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Bi 0 .25 .6335 .80 |
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V 0 .25 .130 -.3 |
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O1 .1465 .5077 .2082 .85 |
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O2 .2606 .3810 .4493 .85 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Clinobisvanite |
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Sleight A W, Chen H-Y, Ferretti A, Cox D E |
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Materials Research Bulletin 14 (1979) 1571-1581 |
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Crystal growth and structure of BiVO4 |
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Locality: synthetic |
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Sample: T = 566 K |
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_database_code_amcsd 0014281 |
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5.1470 5.1470 11.7216 90 90 90 *I4_1/a |
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0 .25 .125 |
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atom x y z Biso |
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Bi 0 .25 .625 1.43 |
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V 0 .25 .125 .3 |
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O .1375 .4985 .2034 1.67 |
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CdGeO3 |
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Prewitt C T, Sleight A W |
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Science 163 (1969) 386-387 |
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Garnet-like structures of high-pressure cadmium germanate and calcium germanate |
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Note: changed O2(y) to -.0500 to match reported bond distances |
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_database_code_amcsd 0015419 |
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12.406 12.406 12.256 90 90 90 *I4_1/a |
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.5 .25 .125 |
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atom x y z Biso |
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Cd1 .1256 .0052 .2564 .64 |
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Cd2 0 .25 .6236 .61 |
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Cd3 0 0 .5 .63 |
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Ge1 0 0 0 .43 |
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Ge2 0 .25 .375 .50 |
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Ge3 0 .25 .875 .36 |
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Ge4 .1267 .0166 .7599 .37 |
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O1 .0251 .0672 .6718 .41 |
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O2 .0478 -.0500 .8621 .36 |
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O3 .2260 .1117 .8101 .41 |
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O4 .2148 -.0823 .7023 .28 |
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O5 -.0653 .1636 .4696 .63 |
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O6 -.1051 .2128 .7840 .59 |
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| Download AMC data (View Text File)
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|
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