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Cryptomelane |
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Vicat J, Fanchon E, Strobel P, Tran Qui D |
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Acta Crystallographica B42 (1986) 162-167 |
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The structure of K1.33Mn8O16 and cation ordering in hollandite-type structures |
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Locality: synthetic |
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_cod_database_code 1008322 |
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_database_code_amcsd 0016237 |
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9.866 9.866 2.872 90 90 90 I4/m |
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atom x y z occ |
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K 0 0 .3754 .3333 |
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Mn .34891 .16621 0 |
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O1 .15445 .20295 0 |
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O2 .54206 .16496 0 |
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H23.5 O36.5 P8 Tl3.5 |
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Chiadmi M, Vicat J, Tran Qui D, Boudjada A |
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Acta Crystallographica C41 (1985) 811-814 |
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Structure de l'orthophosphate acide de thallium a valence mixte, |
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(Tl3 (Tl0.5 (H3 O)0.5) H14 (P O4)8) (H2 O)4 |
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_cod_database_code 1008945 |
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_database_code_amcsd 0016809 |
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9.820 9.973 17.87 90.14 90.01 119.46 P-1 |
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atom x y z occ |
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Tl1 .6634 .0001 .25013 |
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Tl2 .8125 .5759 .24197 |
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Tl3 .2367 .4242 .25821 |
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Tl4 .2407 .0001 .25006 .5 |
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P1 .1153 .6422 .3606 |
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P2 .3591 .7497 .1399 |
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P3 .9968 .1081 .3641 |
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P4 .4734 .3579 .1400 |
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P5 .8892 .8924 .1366 |
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P6 .5787 .6756 .3475 |
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P7 .6093 .25 .3609 |
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P8 .9033 .3248 .1520 |
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O1 .132 .503 .340 |
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O2 .035 .689 .303 |
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O3 .033 .615 .436 |
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O4 .274 .785 .380 |
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O5 .436 .759 .065 |
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O6 .197 .734 .117 |
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O7 .449 .901 .183 |
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O8 .342 .610 .174 |
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O9 .989 .952 .370 |
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O10 .016 .168 .445 |
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O11 .148 .211 .322 |
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O12 .851 .092 .333 |
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O13 .627 .496 .157 |
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O14 .484 .208 .122 |
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O15 .347 .310 .197 |
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O16 .418 .386 .063 |
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O17 .850 .836 .053 |
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O18 .933 .786 .174 |
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O19 .044 .051 .133 |
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O20 .755 .904 .166 |
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O21 .449 .509 .330 |
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O22 .532 .791 .323 |
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O23 .738 .705 .317 |
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O24 .596 .697 .435 |
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O25 .546 .099 .318 |
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O26 .675 .239 .437 |
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O27 .732 .392 .323 |
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O28 .464 .264 .385 |
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O29 .941 .491 .169 |
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O30 .027 .290 .187 |
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O31 .738 .207 .179 |
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O32 .901 .305 .066 |
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O33 .291 .012 .998 |
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O34 .285 .992 .498 |
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O35 .180 .446 .999 |
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O36 .262 .444 .503 |
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O37 .2407 .0001 .25006 .5 |
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In0.12 Li1.12 O12 P3 Ti1.88 |
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Tran Q, Hamdoune S, Soubeyroux J, Prince E |
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Journal of Solid State Chemistry 72 (1988) 309-315 |
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Neutron powder diffraction study of solid solution Li1+x Ti2-x Inx P3 O12 |
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_cod_database_code 1008366 |
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_database_code_amcsd 0016276 |
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8.5476 8.5476 20.9512 90 90 120 R-3c |
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atom x y z occ |
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O1 .1806 .9950 .1903 |
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O2 .1892 .1652 .0813 |
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P1 .2918 0 .25 |
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Ti1 0 0 .1422 .940 |
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In1 0 0 .1422 .060 |
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Li1 0 0 0 .951 |
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Li2 -.3128 0 .25 .031 |
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Li3 -.3668 0 .25 .030 |
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| Download AMC data (View Text File)
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In0.15 Li1.15 O12 P3 Ti1.85 |
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Tran Qui D, Hamdoune S, Soubeyroux J, Prince E |
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Journal of Solid State Chemistry 72 (1988) 309-315 |
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Neutron Powder Diffraction Study of Solid Solution Li1+x Ti2-x Inx P3 O12 |
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_cod_database_code 1008367 |
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_database_code_amcsd 0016277 |
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8.5604 8.5604 21.0219 90 90 120 R-3c |
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atom x y z occ |
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O1 .1862 .9941 .1908 |
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O2 .1893 .1657 .0816 |
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P1 .2917 0 .25 |
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Ti1 0 0 .1441 .925 |
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In1 0 0 .1441 .075 |
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Li1 0 0 0 .969 |
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Li2 -.3036 0 .25 .031 |
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Li3 -.3704 0 .25 .030 |
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| Download AMC data (View Text File)
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Ba2 Cu3 O6.5 Y |
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Miraglia S, Beech F, Santoro A, Tran Qui D, Sunshine S, Murphy D |
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Materials Research Bulletin 22 (1987) 1733-1740 |
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Neutron powder diffraction study of orthorhombic Ba2 Y Cu3 O6.5 |
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_cod_database_code 1008696 |
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_database_code_amcsd 0016582 |
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3.8468 3.8747 11.7466 90 90 90 Pmmm |
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atom x y z occ |
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Ba1 .5 .5 .1917 |
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Y1 .5 .5 .5 |
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Cu1 0 0 0 |
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Cu2 0 0 .3596 |
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O1 0 0 .1528 |
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O2 .5 0 .3788 |
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O3 0 .5 .3767 |
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O4 0 .5 0 .5 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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