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Letovicite |
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Leclaire A, Ledesert M, Monier J, Daoud A, Damak M |
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Acta Crystallographica B41 (1985) 209-213 |
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Structure du disulfate acide de triammonium. Une redetermination. |
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Relations des chaines de liaisons hydrogene avec la morphologie et la |
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conductivite eletrique |
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_cod_database_code 1001784 |
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_database_code_amcsd 0009806 |
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15.435 5.865 10.1696 90 101.829 90 C2/c |
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atom x y z occ |
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S1 .11418 .21828 .46135 |
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N1 .5 .23039 .25 |
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N2 .19893 .27573 .15266 |
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O1 .01415 .18463 .44256 |
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O2 .15024 .22318 .60589 |
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O3 .12909 .43451 .39838 |
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O4 .14906 .02625 .39784 |
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H1 -.001 .047 .479 .5 |
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H2 .476 .150 .191 |
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H3 .461 .304 .276 |
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H4 .186 .284 .228 |
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H5 .193 .153 .113 |
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H6 .257 .31 .164 |
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H7 .175 .389 .112 |
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| Download AMC data (View Text File)
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Bi1.916 Cu O5.482 Sr1.84 |
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Leligny H, Durcok S, Labbe P, Ledesert M, Raveau B |
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Acta Crystallographica B48 (1992) 407-418 |
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X-ray investigation of the incommensurate modulated structure of |
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Bi2.08Sr1.84CuO6-d |
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_cod_database_code 1001691 |
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_database_code_amcsd 0009858 |
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5.3791 5.3811 24.58899 90 89.93 90 A2/a |
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atom x y z occ |
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Bi1 -.0006 .2754 .0654 .9579 |
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Sr1 .5003 .2473 .1785 .920 |
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Cu1 0 .25 .25 |
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O1 .2526 .0004 .2517 |
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O2 .0147 .2003 .1499 .741 |
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O3 .521 .3404 .0698 |
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La0.988 Mo8.024 O14 |
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Leligny H, Labbe P, Ledesert M, Hervieu M, Raveau B, McCarroll W |
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Acta Crystallographica B49 (1993) 444-454 |
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The modulated structure of LaMo8O14 |
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_cod_database_code 1001543 |
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_database_code_amcsd 0009872 |
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11.129 10.000 9.218 90 90 90 C2cb |
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atom x y z occ |
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La1 .0198 0 0 .8425 |
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La2 -.0216 0 0 .1450 |
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Mo1 .8769 .0778 .3795 |
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Mo2 .1218 .0828 .3768 |
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Mo3 0 .8402 .3796 |
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Mo4 .2307 .8371 .3759 .7876 |
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Mo5 .7741 .8392 .3835 .2244 |
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O1 .2623 0 .5 |
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O2 -.0032 .8410 .7638 |
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O3 .8730 -.0786 .2432 |
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O4 .1158 -.0761 .2353 |
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O5 .7443 .1718 .2567 |
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O6 .1149 .2609 .4893 |
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O7 .8736 .2507 .4906 |
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O8 .7452 0 .5 |
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Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 |
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Labbe P, Ledesert M, Maignan A, Martin C, Leligny H, Raveau B |
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Acta Crystallographica B51 (1995) 18-22 |
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Single crystal study of the 'BaSr' 1212 superconductor Tl1+xBaSrCa1-xCu2O7-d |
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_cod_database_code 1001657 |
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_database_code_amcsd 0009884 |
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3.8271 3.8271 12.385 90 90 90 P4/mmm |
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atom x y z occ |
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Tl1 .0859 0 0 .25 |
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Ca1 .5 .5 .5 .78 |
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Tl2 .5 .5 .5 .22 |
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Ba1 .5 .5 .21450 .52 |
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Sr1 .5 .5 .21450 .48 |
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Cu1 0 0 .3685 |
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O1 .5 0 .3755 |
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O2 0 0 .1629 |
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O3 .5 .5 0 |
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| Download AMC data (View Text File)
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Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 |
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Labbe P, Ledesert M, Maignan A, Martin C, Leligny H, Raveau B |
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Acta Crystallographica B51 (1995) 18-22 |
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Single crystal study of the 'BaSr' 1212 superconductor Tl1+xBaSrCa1-xCu2O7-d |
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_cod_database_code 1001658 |
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_database_code_amcsd 0009885 |
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3.8356 3.8356 12.390 90 90 90 P4/mmm |
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atom x y z occ |
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Tl1 .0949 0 0 .25 |
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Ca1 .5 .5 .5 .78 |
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Tl2 .5 .5 .5 .22 |
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Ba1 .5 .5 .21615 .52 |
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Sr1 .5 .5 .21615 .48 |
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Cu1 0 0 .3698 |
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O1 .5 0 .3744 |
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O2 0 0 .1621 |
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O3 .5 .5 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 |
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Labbe P, Ledesert M, Maignan A, Martin C, Leligny H, Raveau B |
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Acta Crystallographica B51 (1995) 18-22 |
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Single crystal study of the 'BaSr' 1212 superconductor Tl1+xBaSrCa1-xCu2O7-d |
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_cod_database_code 1001659 |
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_database_code_amcsd 0009886 |
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3.8234 3.8234 12.384 90 90 90 P4/mmm |
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atom x y z occ |
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Tl1 .0862 0 0 .25 |
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Ca1 .5 .5 .5 .78 |
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Tl2 .5 .5 .5 .22 |
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Ba1 .5 .5 .2128 .52 |
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Sr1 .5 .5 .2128 .48 |
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Cu1 0 0 .3675 |
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O1 .5 0 .3749 |
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O2 0 0 .164 |
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O3 .5 .5 0 |
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| Download AMC data (View Text File)
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As2 Hg4 I3 |
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Labbe P, Ledesert M, Raveau B, Rebbah A |
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Zeitschrift fur Kristallographie 187 (1989) 117-123 |
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Crystal structure of Hg4 As2 I3 |
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_cod_database_code 1001415 |
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_database_code_amcsd 0010984 |
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12.999 12.999 12.999 90 90 90 Pa3 |
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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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Hg1 .22092 .22092 .22092 .0415 .0415 .0415 -.0093 -.0093 -.0093 |
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Hg2 .04322 .01333 .26386 .0355 .0344 .0231 -.0006 .0076 .0115 |
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As1 .10819 .10819 .10819 .0161 .0161 .0161 .0046 .0046 .0046 |
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As2 .44637 .44637 .44637 .0139 .0139 .0139 .0004 .0004 .0004 |
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I1 .18518 .43990 .25788 .0161 .0174 .0266 -.0004 -.0012 .0008 |
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| Download AMC data (View Text File)
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Cd0.33 Cu2.11 O7 Pb0.56 Sr2.09 Y0.91 |
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Ledesert M, Labbe P, Groult D, Daniel P, Hervieu M, Raveau B |
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European Journal of Solid State and Inorganic Chemistry 30 (1993) 357-367 |
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The crystal structure of the cadmium derivative 1212 lead cuprate (Pb, |
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Cd)Sr2YCu2O7 |
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_cod_database_code 1001518 |
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_database_code_amcsd 0012568 |
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3.8108 3.8108 11.927 90 90 90 P4/mmm |
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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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Pb1 0 0 0 .56 .0405 .0405 .0073 0 0 0 |
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Cd1 0 0 0 .26 .0405 .0405 .0073 0 0 0 |
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Y1 .5 .5 .5 .91 .0061 .0061 .0115 0 0 0 |
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Sr1 .5 .5 .5 .09 .0061 .0061 .0115 0 0 0 |
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Sr2 .5 .5 .2091 .0125 .0125 .0139 0 0 0 |
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Cu1 0 0 .3614 .0046 .0046 .0128 0 0 0 |
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O1 0 .5 .3782 .012 .003 .024 0 0 0 |
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O2 0 0 .168 .017 .017 .025 0 0 0 |
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O3 .36 .5 0 .25 .08 .03 .03 0 0 0 |
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Cd2 0 .190 0 .0175 |
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Cu2 0 .190 0 .0275 |
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| Download AMC data (View Text File)
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Ba Cd2 Cl6 H10 O5 |
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Ledesert M, Raveau B |
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Journal of Solid State Chemistry 67 (1987) 340-345 |
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Ba Cd2 Cl6 (H2 O)5. A pyrochlore with 16(d) and 32(e) positions |
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both fully occupied |
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_cod_database_code 1001357 |
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_database_code_amcsd 0013599 |
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13.797 13.797 13.797 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Ba1 .5 .5 .5 .5 |
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O1 .5 .5 .5 .5 |
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Cd1 0 0 0 |
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Cl1 .32095 .125 .125 |
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O2 .70251 .70251 .70251 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Cu Nd O3.56 Sr |
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Labbe P, Ledesert M, Caignaert V, Raveau B |
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Journal of Solid State Chemistry 91 (1991) 362-369 |
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Structural peculiarities of two layered cuprates, NdSrCuO3.5 and |
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Nd1.8Sr1.2Cu2O6-delta |
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_cod_database_code 1001479 |
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_database_code_amcsd 0013710 |
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3.7431 3.7431 12.839 90 90 90 I4/mmm |
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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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Nd1 0 0 .35812 .5 .0163 .0163 .0129 0 0 0 |
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Sr1 0 0 .35812 .5 .0163 .0163 .0129 0 0 0 |
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Cu1 0 0 0 .0112 .0112 .0086 0 0 0 |
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O1 0 .5 0 .86 .06 .007 .032 0 0 0 |
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O2 0 0 .172 .92 .037 .037 .035 0 0 0 |
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| Download AMC data (View Text File)
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Cu2 Nd1.79 O6 Sr1.21 |
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Labbe P, Ledesert M, Caignaert V, Raveau B |
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Journal of Solid State Chemistry 91 (1991) 362-369 |
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Structural peculiarities of two layered cuprates, NdSrCuO3.5 and |
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Nd1.8Sr1.2Cu2O6-delta |
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_cod_database_code 1001480 |
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_database_code_amcsd 0013711 |
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3.8365 3.8365 19.652 90 90 90 I4/mmm |
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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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Nd1 0 0 0 .75 .0068 .0068 .0040 0 0 0 |
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Sr1 0 0 0 .25 .0068 .0068 .0040 0 0 0 |
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Nd2 0 0 .18025 .52 .0144 .0144 .0091 0 0 0 |
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Sr2 0 0 .18025 .48 .0144 .0144 .0091 0 0 0 |
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Cu1 0 0 .5916 .0060 .0060 .011 0 0 0 |
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O1 0 .5 .0817 |
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O2 0 0 .701 |
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| Download AMC data (View Text File)
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La5Mo4O16 |
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Ledesert M, Labbe P, McCarroll W, Leligny H, Raveau B |
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Journal of Solid State Chemistry 105 (1993) 143-150 |
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La5Mo4O16: a new structural type related to perovskite |
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with extremely short Mo-Mo bonds |
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_cod_database_code 1001567 |
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_database_code_amcsd 0013781 |
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7.9638 7.9958 10.3345 90 95.067 90 C2/m |
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atom x y z occ |
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La1 .27297 .24497 .21054 |
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La2 0 0 .5 |
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Mo1 0 0 0 |
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Mo2 .5 0 0 |
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Mo3 .56078 0 .39747 |
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O1 .0375 .2630 .3585 |
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O2 .2863 .5 .3263 |
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O3 .3087 0 .4314 |
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O4 .4601 0 .1889 |
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O5 .0729 0 .1740 |
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O6 .046 .25 0 .5 |
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O7 .246 .967 .9574 .5 |
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|
| Download AMC data (View Text File)
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Ba0.72 Ca1.84 Cu3 O9 Sr1.28 Tl1.16 |
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Martin C, Maignan A, Huve M, Labbe P, Ledesert M, Leligny H, Raveau B |
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Physica C 217 (1993) 106-112 |
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A Sr-rich 1223 cuprate, Tl1+xBa2/3Sr4/3Ca2-xCu3O9 with a Tc of 110 K. |
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A single-crystal study. |
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_cod_database_code 1001576 |
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_database_code_amcsd 0015060 |
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3.8274 3.8274 15.524 90 90 90 P4/mmm |
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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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Tl1 .0872 0 0 .25 .046 .024 .081 0 0 0 |
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Cu1 0 0 .5 .0067 .0067 .009 0 0 0 |
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Cu2 0 0 .2902 .0078 .0078 .011 0 0 0 |
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Ba1 .5 .5 .1690 .36 .0070 .0070 .0097 0 0 0 |
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Sr1 .5 .5 .1690 .64 .0070 .0070 .0097 0 0 0 |
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Ca1 .5 .5 .3931 .92 .0065 .0065 .010 0 0 0 |
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Tl2 .5 .5 .3931 .08 .0065 .0065 .010 0 0 0 |
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O1 .5 0 .5 .004 .026 .021 0 0 0 |
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O2 .5 0 .2964 .006 .009 .020 0 0 0 |
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O3 0 0 .131 .021 .021 .012 0 0 0 |
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O4 .5 .5 0 .030 .030 .004 0 0 0 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Bi0.33 Ca0.89 Cu2 O7 Sr2 Tl0.78 |
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Ledesert M, Maignan A, Chardon J, Martin C, Labbe P, Hervieu M, Raveau B |
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Physica C 232 (1994) 387-395 |
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(Tl, Bi) Sr2 Ca Cu2 O7 "1212" superconducting single crystal. |
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A structural and magnetic study |
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_cod_database_code 1001634 |
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_database_code_amcsd 0015068 |
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3.7922 3.7922 12.0661 90 90 90 P4/mmm |
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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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Tl1 .0575 0 0 .1675 .031 .0137 .0046 0 0 0 |
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Bi1 .0575 0 0 .0825 .031 .0137 .0046 0 0 0 |
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Ca1 .5 .5 .5 .89 .0083 .0083 .0091 0 0 0 |
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Tl2 .5 .5 .5 .11 .0083 .0083 .0091 0 0 0 |
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Sr1 .5 .5 .2170 .0101 .0101 .0124 0 0 0 |
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Cu1 0 0 .3642 .0058 .0058 .0106 0 0 0 |
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O1 0 .5 .3693 .012 .010 .014 0 0 0 |
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O2 0 0 .1660 .016 .016 .010 0 0 0 |
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O3 .411 .411 0 .25 .016 .016 .02 -.01 0 0 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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