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Ba1.2Ti6.8Mg1.2O16 |
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Fanchon E, Vicat J, Hodeau J, Wolfers P, Duc Tran Qui, Strobel P |
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Acta Crystallographica B43 (1987) 440-448 |
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Commensurate ordering and domains in the Ba1.2Ti6.8Mg1.2O16 hollandite |
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_cod_database_code 1008813 |
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_database_code_amcsd 0016683 |
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10.227 14.907 9.964 90 90.77 90 I2/m |
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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 0 .13264 0 .0133 .0180 .0146 0 .0006 0 |
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Ba2 0 .5 0 .0183 .0171 .0173 0 .0005 0 |
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Ti1 .6556 0 .1630 .85 |
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Mg1 .6556 0 .1630 .15 |
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Ti2 .6428 .1993 .1779 .85 |
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Mg2 .6428 .1993 .1779 .15 |
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Ti3 .6474 .4001 .1629 .85 |
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Mg3 .6474 .4001 .1629 .15 |
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Ti4 .1580 0 .3400 .85 |
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Mg4 .1580 0 .3400 .15 |
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Ti5 .1731 .1993 .3540 .85 |
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Mg5 .1731 .1993 .3540 .15 |
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Ti6 .1613 .3999 .3476 .85 |
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Mg6 .1613 .3999 .3476 .15 |
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O1 .845 0 .195 |
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O2 .842 .201 .1974 |
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O3 .842 .4017 .200 |
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O4 .851 0 .461 |
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O5 .8449 .200 .4576 |
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O6 .8363 .3989 .460 |
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O7 .203 0 .149 |
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O8 .2048 .198 .151 |
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O9 .206 .4004 .150 |
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O10 .462 0 .169 |
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O11 .4573 .201 .1716 |
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O12 .459 .3994 .1838 |
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As H2 Li O4 |
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Fanchon E, Vicat J, Duc Tran Qui, Boudjada A |
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Acta Crystallographica C43 (1987) 1022-1025 |
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Absolute structure of LiH2AsO4 |
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_cod_database_code 1008335 |
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_database_code_amcsd 0016246 |
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6.416 7.727 7.298 90 90 90 Pna2_1 |
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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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As1 .30199 .42074 .17317 .0146 .0122 .0105 .0010 .0009 .0016 |
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O1 .2796 .3141 .3676 .0173 .0218 .0139 .0019 .0021 .0064 |
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O2 .4218 .6172 .1998 .0330 .0196 .0133 -.0091 -.0041 .0024 |
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O3 .0612 .4887 .0956 .0186 .0161 .0284 .0011 -.0068 .0042 |
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O4 .4216 .3093 .0098 .0293 .0195 .0160 .0063 .0077 .0018 |
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Li1 .4835 .7847 -.0001 .0186 .0225 .0131 -.0002 -.0018 .0002 |
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H1 -.009 .359 .034 |
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H2 .473 .632 .296 |
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Cu Li O4 V |
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Durif A, Grenier J, Joubert J, Duc Tran Qui |
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Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 89 (1966) 407-409 |
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Structure cristallographique de l'orthovanadate de lithium-cuivre, VLiCuO4 |
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_cod_database_code 1007051 |
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_database_code_amcsd 0012120 |
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5.652 5.81 8.75 90 90 90 Imma |
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atom x y z |
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V1 0 .25 .387 |
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Cu1 0 0 0 |
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Li1 .25 .25 .75 |
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O1 0 .01 .275 |
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O2 .23 .25 0 |
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H8 Mn N2 O12 P4 |
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Duc Tran Qui, Tordjman I, Averbuch M, Bassi G |
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Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 93 (1970) 413-420 |
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Structure cristalline du polyphosphate de manganese-ammonium |
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_cod_database_code 1008108 |
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_database_code_amcsd 0016050 |
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11.297 12.993 7.839 90 101.5 90 P2_1/n |
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atom x y z |
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Mn1 .0164 .1492 .7645 |
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P1 .4119 .4063 .8380 |
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P2 .2065 .3108 .5922 |
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P3 .3412 .1635 .4125 |
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P4 .1268 .0683 .1815 |
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N1 .1581 .365 .0865 |
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N2 .3638 .1151 .9274 |
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O1 .1340 .3975 .5142 |
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O2 .1532 .2467 .7233 |
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O3 .2325 .2452 .4539 |
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O4 .3434 .3423 .695 |
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O5 .4104 .2164 .2779 |
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O6 .4124 .1138 .5671 |
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O7 .2640 .0802 .2978 |
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O8 .1229 .1366 .0377 |
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O9 .1006 -.0423 .1430 |
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O10 .0554 .1105 .3187 |
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O11 .3997 .3588 .0019 |
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O12 .3849 .5187 .8140 |
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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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