|
La0.988 Mo8.024 O14 |
| |
Leligny H, Labbe P, Ledesert M, Hervieu M, Raveau B, McCarroll W |
 |
Acta Crystallographica B49 (1993) 444-454 |
|
The modulated structure of LaMo8O14 |
|
_cod_database_code 1001543 |
|
_database_code_amcsd 0009872 |
|
11.129 10.000 9.218 90 90 90 C2cb |
|
atom x y z occ |
|
La1 .0198 0 0 .8425 |
|
La2 -.0216 0 0 .1450 |
|
Mo1 .8769 .0778 .3795 |
|
Mo2 .1218 .0828 .3768 |
|
Mo3 0 .8402 .3796 |
|
Mo4 .2307 .8371 .3759 .7876 |
|
Mo5 .7741 .8392 .3835 .2244 |
|
O1 .2623 0 .5 |
|
O2 -.0032 .8410 .7638 |
|
O3 .8730 -.0786 .2432 |
|
O4 .1158 -.0761 .2353 |
|
O5 .7443 .1718 .2567 |
|
O6 .1149 .2609 .4893 |
|
O7 .8736 .2507 .4906 |
|
O8 .7452 0 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba0.85Ca2.15In6O12 |
| |
Baldinozzi G, Goutenoire F, Hervieu M, Suard E, Grebille D |
 |
Acta Crystallographica B52 (1996) 780-789 |
|
Incommensurate modulated disorder in Ba0.85Ca2.15In6O12 |
|
_cod_database_code 1000428 |
|
_database_code_amcsd 0009895 |
|
9.8880 9.8880 3.2170 90 90 120 P6_3/m |
|
atom x y z occ |
|
Ba1 0 0 .160 .215 |
|
Ca1 1/3 2/3 .25 |
|
In1 .3472 -.0044 .25 |
|
O1 .1935 .3048 .25 |
|
O2 .5316 .3985 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba0.85Ca2.15In6O12 |
| |
Baldinozzi G, Goutenoire F, Hervieu M, Suard E, Grebille D |
 |
Acta Crystallographica B52 (1996) 780-789 |
|
Incommensurate modulated disorder in Ba0.85Ca2.15In6O12 |
|
_cod_database_code 1000429 |
|
_database_code_amcsd 0009896 |
|
9.8880 9.8880 3.2170 90 90 120 P3 |
|
atom x y z occ |
|
Ba1 0 0 .705 .35 |
|
Ba2 0 0 .222 .17 |
|
Ba3 0 0 -.064 .31 |
|
Ca1 0 0 -.064 .10 |
|
Ca2 1/3 2/3 .267 |
|
Ca3 2/3 1/3 .745 |
|
In1 .3492 -.0005 .25 |
|
In2 .6545 .0068 .747 |
|
O1 .1910 .3040 .25 |
|
O2 .8052 .6976 .759 |
|
O3 .5293 .3970 .248 |
|
O4 .4669 .6003 .754 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
O4 Sr Tl2 |
| |
Michel C, Hervieu M, Caignaert V, Raveau B |
 |
Acta Crystallographica C48 (1992) 1747-1749 |
|
Structure Refinement of the semi-Metallic Oxide SrTl2O4: a Neutron |
|
Diffraction Study |
|
_cod_database_code 1001537 |
|
_database_code_amcsd 0010276 |
|
10.0451 11.6905 3.40860 90 90 90 Pnam |
|
atom x y z |
|
Tl1 .4225 .6090 .25 |
|
Tl2 .4212 .1093 .25 |
|
Sr1 .7534 .6504 .25 |
|
O1 .2110 .1772 .25 |
|
O2 .1256 .4777 .25 |
|
O3 .5188 .7790 .25 |
|
O4 .4136 .4254 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Nb O9 Rb Ti3 |
| |
Hervieu M, Desgardin G, Raveau B |
|   |
Annales de Chimie 1979 (1979) 339-346 |
|
Titanoniobates et Titanotantalates avec une structure a tunnels: les |
|
oxydes A Ti3 M O9 et (A2 Ti6 O13)n * A Ti3 M O9 |
|
_cod_database_code 1001201 |
|
_database_code_amcsd 0012019 |
|
6.407 3.797 14.918 90 90 90 *Pnmm |
|
0 .25 .25 |
|
atom x y z occ |
|
Rb1 .2129 .75 .25 |
|
Ti1 .3115 .25 .0442 .75 |
|
Ti2 .7543 .25 .1273 .75 |
|
Nb1 .3115 .25 .0442 .25 |
|
Nb2 .7543 .25 .1273 .25 |
|
O1 .6608 .25 .5218 |
|
O2 .2231 .25 .5996 |
|
O3 .4308 .25 .15 |
|
O4 .0295 .25 .0836 |
|
O5 .834 .25 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca0.5 Fe1.5 Li0.5 O4 Sn0.5 |
| |
Archaimbault F, Choisnet J, Hervieu M, Raveau B |
|   |
Annales de Chimie (Paris) (Vol=Year) 12 (1987) 23-32 |
|
De Nouveaux Ferrites de Calcium Substitues, Isotypes De Ca Fe2 O4: |
|
Les Oxydes Ca1-x Lix (Fe2-x Sn x) O4 (0 < x <=0.60) |
|
_cod_database_code 1001437 |
|
_database_code_amcsd 0012023 |
|
9.285 10.869 3.020 90 90 90 Pnam |
|
atom x y z occ |
|
Ca1 .774 .667 .25 .5 |
|
Li1 .774 .667 .25 .5 |
|
Fe1 .4363 .6085 .25 .75 |
|
Sn1 .4363 .6085 .25 .25 |
|
Fe2 .4105 .1051 .25 .75 |
|
Sn2 .4105 .1051 .25 .25 |
|
O1 .214 .167 .25 |
|
O2 .129 .458 .25 |
|
O3 .514 .785 .25 |
|
O4 .419 .425 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H3 O7 Ta W |
| |
Hervieu M, Michel C, Raveau B |
|   |
Bulletin de la Societe Chimique de France 1971 (1971) 3939-3943 |
|
Proprietes d'echanges d'ions de quelques oxydes ternaires de type |
|
pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6 |
|
_cod_database_code 1001163 |
|
_database_code_amcsd 0012101 |
|
10.39 10.39 10.39 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 .5 .5 .5 .5 |
|
W1 .5 .5 .5 .5 |
|
O1 .44 .125 .125 |
|
O2 .125 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H3.4 O7 Ta1.4 W0.6 |
| |
Hervieu M, Michel C, Raveau B |
|   |
Bulletin de la Societe Chimique de France 1971 (1971) 3939-3943 |
|
Proprietes d'echanges d'ions de quelques oxydes ternaires de type |
|
pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6 |
|
_cod_database_code 1001164 |
|
_database_code_amcsd 0012102 |
|
10.485 10.485 10.485 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 .5 .5 .5 .7 |
|
W1 .5 .5 .5 .3 |
|
O1 .445 .125 .125 |
|
O2 .125 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H3.8 O7 Ta1.8 W0.2 |
| |
Hervieu M, Michel C, Raveau B |
|   |
Bulletin de la Societe Chimique de France 1971 (1971) 3939-3943 |
|
Proprietes d'echanges d'ions de quelques oxydes ternaires de type |
|
pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6 |
|
_cod_database_code 1001165 |
|
_database_code_amcsd 0012103 |
|
10.55 10.55 10.55 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 .5 .5 .5 .9 |
|
W1 .5 .5 .5 .1 |
|
O1 .435 .125 .125 |
|
O2 .125 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H4 O7 Ta2 |
| |
Hervieu M, Michel C, Raveau B |
|   |
Bulletin de la Societe Chimique de France 1971 (1971) 3939-3943 |
|
Proprietes d'echanges d'ions de quelques oxydes ternaires de type |
|
pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6 |
|
_cod_database_code 1001166 |
|
_database_code_amcsd 0012104 |
|
10.58 10.58 10.58 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z |
|
Ta1 .5 .5 .5 |
|
O1 .435 .125 .125 |
|
O2 .125 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H4 N O6 Ta W |
| |
Hervieu M, Michel C, Raveau B |
|   |
Bulletin de la Societe Chimique de France 1971 (1971) 3939-3943 |
|
Proprietes d'echanges d'ions de quelques oxydes ternaires de type |
|
pyrochlore: les pyrochlores H1+x(H2O)Ta1+xW1-xO6 et NH4TaWO6 |
|
_cod_database_code 1001167 |
|
_database_code_amcsd 0012105 |
|
10.358 10.358 10.358 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 .5 .5 .5 .5 |
|
W1 .5 .5 .5 .5 |
|
N1 .125 .125 .125 |
|
O1 .43 .125 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Nb1.34 O6.67 Pb2 Ti0.66 |
| |
Bachelier J, Hervieu M, Quemeneur E |
|   |
Bulletin de la Societe Chimique de France 1973 (1973) 2593-2595 |
|
Contribution a l'etude du compose Pb2-x M2 O7-y (M = Nb, Ti) de |
|
type pyrochlore |
|
_cod_database_code 1001052 |
|
_database_code_amcsd 0012106 |
|
10.52 10.52 10.52 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Pb1 0 0 0 |
|
Nb1 .5 .5 .5 .67 |
|
Ti1 .5 .5 .5 .33 |
|
O1 .439 .125 .125 |
|
O2 .125 .125 .125 .67 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Nb1.33 O6.66 Pb2 Ti0.66 |
| |
Bachelier J, Hervieu M, Quemeneur E |
|   |
Bulletin de la Societe Chimique de France 1973 (1973) 2593-2595 |
|
Contribution a l'etude du compose Pb2-x M2 O7-y (M = Nb, Ti) |
|
_cod_database_code 1001168 |
|
_database_code_amcsd 0012107 |
|
10.52 10.52 10.52 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Pb1 0 0 0 |
|
Nb1 .5 .5 .5 .667 |
|
Ti1 .5 .5 .5 .333 |
|
O1 .439 .125 .125 |
|
O2 .125 .125 .125 .6667 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba3 Cu2 Hg O10 Sr Tl2 |
| |
Goutenoire F, Hervieu M, Martin C, Maignan A, Michel C, Letouze F, Raveau B |
|   |
Chemistry of Materials 6 (1994) 1654-1658 |
|
Cationic substitutions in the "2201-1201" intergrowth Hg Tl2 Ba4 Cu2 O10 |
|
_cod_database_code 1000369 |
|
_database_code_amcsd 0012201 |
|
3.8289 3.8289 41.75699 90 90 90 I4/mmm |
|
atom x y z occ |
|
Hg1 0 0 0 |
|
Tl1 0 0 .2237 |
|
Cu1 0 0 .1135 |
|
Ba1 .5 .5 .0664 .75 |
|
Sr1 .5 .5 .0664 .25 |
|
Ba2 .5 .5 .1596 .75 |
|
Sr2 .5 .5 .1596 .25 |
|
O1 0 0 .050 |
|
O2 .5 0 .114 |
|
O3 0 0 .174 |
|
O4 .5 .5 .228 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Tl3(CrO4)Sr8Cu4O16 |
| |
Martin C, Letouze F, Maignan A, Seshadri R, Michel C, Hervieu M, Raveau B |
|   |
Chemistry of Materials 8 (1996) 865-873 |
|
The superconducting copper oxychromate Tl3(CrO4)Sr8Cu4O16: long- |
|
range ordering between thallium and chromium |
|
_cod_database_code 1001725 |
|
_database_code_amcsd 0012210 |
|
3.778 15.244 17.67699 90 90 90 Amm2 |
|
atom x y z |
|
Tl1 0 .218 0 |
|
Tl2 0 0 0 |
|
Cr1 0 0 .5 |
|
Cu1 0 0 .7471 |
|
Cu2 0 0 .2529 |
|
Cu3 0 .25 .25 |
|
Sr1 .5 .121 .1523 |
|
Sr2 .5 .366 .1474 |
|
Sr3 .5 .134 .3526 |
|
Sr4 .5 .378 .3477 |
|
O1 .5 0 .267 |
|
O2 .5 0 .733 |
|
O3 .5 .25 .25 |
|
O4 0 .125 .2562 |
|
O5 0 .125 .7438 |
|
O6 0 0 .102 |
|
O7 0 0 .430 |
|
O8 0 0 .570 |
|
O9 0 0 .898 |
|
O10 0 .25 .108 |
|
O11 0 .25 .892 |
|
O12 .5 .125 0 |
|
O13 .5 .109 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Co O3.111 Sr0.9999 Tl0.41 |
| |
Boullay P, Domenges B, Hervieu M, Groult D, Raveau B |
|   |
Chemistry of Materials 8 (1996) 1482-1489 |
|
Evidence for the first misfit layer oxide Tl0.41 (Sr0.9 O)1.12 Co O2 |
|
_cod_database_code 1001719 |
|
_database_code_amcsd 0012211 |
|
4.95 25.18999 11.66 90 97.76 90 Cm |
|
atom x y z occ |
|
Sr1 .025 0 .89 .9 |
|
Sr2 .025 .2 .89 .9 |
|
Sr3 .025 .4 .89 .9 |
|
Sr4 .025 .5 .11 .9 |
|
Sr5 .025 .7 .11 .9 |
|
Sr6 .025 .9 .11 .9 |
|
Co1 0 0 .5 |
|
Co2 0 .111 .5 |
|
Co3 0 .222 .5 |
|
Co4 0 .333 .5 |
|
Co5 0 .444 .5 |
|
Tl1 .4 0 .71 .615 |
|
Tl2 .4 .222 .71 .615 |
|
Tl3 .45 .5 .28 .615 |
|
Tl4 .45 .7225 .28 .615 |
|
O1 .02 0 .11 |
|
O2 .02 .2 .11 |
|
O3 .02 .4 .11 |
|
O4 .02 .5 .89 |
|
O5 .02 .7 .89 |
|
O6 .02 .9 .89 |
|
O7 .3 0 .4 |
|
O8 .3 .111 .4 |
|
O9 .3 .222 .4 |
|
O10 .3 .333 .4 |
|
O11 .3 .444 .4 |
|
O12 .2 .0555 .6 |
|
O13 .2 .1665 .6 |
|
O14 .2 .2775 .6 |
|
O15 .2 .3885 .6 |
|
O16 .2 .5 .6 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cr0.15 Cu2 N0.5 O10 Sr4 Tl0.85 |
| |
Barnabe A, Letouze F, Pelloquin D, Maignan A, Hervieu M, Raveau B |
|   |
Chemistry of Materials 9 (1997) 2205-2211 |
|
A new superconducting oxycarbonitrate: (Tl5/6Cr1/6)Sr4Cu2(CO3)1/2(NO3)1/2O7 |
|
_cod_database_code 1001789 |
|
_database_code_amcsd 0012212 |
|
3.8320 3.8320 16.41119 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .102 0 0 .2125 |
|
Cr1 .102 0 0 .0375 |
|
Sr1 .5 .5 .1592 |
|
Sr2 .5 .5 .3723 |
|
Cu1 0 0 .2630 |
|
C1 0 0 .5 .5 |
|
N1 0 0 .5 .5 |
|
O1 .5 .5 0 |
|
O2 0 0 .1226 |
|
O3 .141 0 .4306 .25 |
|
O4 .332 0 .5 .25 |
|
O5 .5 0 .2719 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba2 Cu3 La O6.7 |
| |
Hervieu M, Nguyen N, Michel C, Deslandes F, Raveau B |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 305 (1987) 1063-1068 |
|
A preliminary X-ray diffraction study of the tetragonal superconducting |
|
oxide La Ba2 Cu3 O7-d |
|
_cod_database_code 1001677 |
|
_database_code_amcsd 0012300 |
|
3.895 3.895 11.727 90 90 90 P4/mmm |
|
atom x y z occ |
|
La1 .5 .5 .5 |
|
Ba1 .5 .5 .1846 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .3521 |
|
O1 0 0 .1720 .325 |
|
O2 0 .5 .3849 |
|
O3 .5 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba2 Ca2 Cu3 O8.84 Tl0.93 |
| |
Martin C, Michel C, Maignan A, Hervieu M, Raveau B |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 307 (1988) 27-32 |
|
Tl Ba2-x Ca2+x Cu3 O10-y : un supraconducteur a 120 K, nouveau |
|
terme d'une grande famille d'intercroissances de couches multiples |
|
types chlorure de sodium et de couches multiples de type perovskite |
|
deficitaires en oxygene |
|
_cod_database_code 1001373 |
|
_database_code_amcsd 0012301 |
|
3.844 3.844 15.88 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 0 0 .5 .93 |
|
Ba1 .5 .5 .3259 |
|
Ca1 .5 .5 .092 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .1934 |
|
O1 0 .5 0 |
|
O2 0 0 .10 .32 |
|
O3 0 .5 .204 .80 |
|
O4 0 0 .328 |
|
O5 .5 .5 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Y2BaPdO5 |
| |
Laligant Y, Ferey G, Hervieu M, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 25 (1988) 111-117 |
|
Crystal structure of palladate Y2BaPdO5 with square planar |
|
coordinated Pd^2+^ |
|
_cod_database_code 1000242 |
|
_database_code_amcsd 0012517 |
|
6.523 6.523 5.831 90 90 90 P4/mbm |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 0 0 0 .0061 .0061 .0079 0 0 0 |
|
Pd1 .5 0 0 .0057 .0057 .0048 .0008 0 0 |
|
Y1 .1737 .3263 .5 .0046 .0046 .0058 .0009 0 0 |
|
O1 .3588 .1412 .2562 .0133 .0133 .0127 .0039 .0097 .0097 |
|
O2 0 0 .5 .0080 .0080 .0169 0 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba2PdO3 |
| |
Laligant Y, Le Bail A, Ferey G, Hervieu M, Raveau B, Wilkinson A, Cheetham A |
|   |
European Journal of Solid State and Inorganic Chemistry 25 (1988) 237-246 |
|
Synthesis and ab-initio structure determination from X-ray powder data |
|
of Ba2PdO3 with sevenfold coordinated Ba. |
|
Structural correlations with K2NiF4 and Ba2NiF6 |
|
_cod_database_code 1000071 |
|
_database_code_amcsd 0012519 |
|
13.335 4.080 3.8362 90 90 90 Immm |
|
atom x y z |
|
Ba .3539 0 0 |
|
Pd 0 0 0 |
|
O1 0 .5 0 |
|
O2 .1519 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu2 O5.667 Pr Sr2 |
| |
Lucas S, Caignaert V, Hervieu M, Michel C, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 29 (1992) 399-409 |
|
The layered cuprates Sr2-xLn1+xCu2O6-d: a structure built up |
|
from the two limit structures Sr2LnCu2O6 and Sr6Ln3Cu6O17 |
|
(Ln=Pr,Y) |
|
_cod_database_code 1001506 |
|
_database_code_amcsd 0012554 |
|
3.7626 11.5157 20.1199 90 90 90 Immm |
|
atom x y z occ |
|
Pr1 0 0 0 |
|
Sr1 0 .3005 0 .27 |
|
Pr2 0 .3005 0 .73 |
|
Sr2 0 0 .1968 .73 |
|
Pr3 0 0 .1968 .27 |
|
Sr3 0 .3229 .1772 |
|
Cu1 0 0 .5881 |
|
Cu2 0 .3517 .6007 |
|
O1 0 .1614 .4152 |
|
O2 0 .1361 .0976 |
|
O3 0 0 .6849 |
|
O4 0 .3482 .7012 |
|
O5 0 .3668 .5 |
|
O6 .295 0 .5 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Cu O6 Sr Tl2 |
| |
Martin C, Maignan A, Huve M, Michel C, Hervieu M, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 30 (1993) 7-18 |
|
The influence of alkaline-earth ions on the properties of the "2201" |
|
superconductive cuprates: the solid solution Tl2Ba2-xSrxCuO6+d |
|
_cod_database_code 1001521 |
|
_database_code_amcsd 0012561 |
|
3.7988 3.7988 22.7109 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 .042 0 .2019 .25 |
|
Ba1 .5 .5 .0830 .5 |
|
Sr1 .5 .5 .0830 .5 |
|
Cu1 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 0 .107 |
|
O3 .62 0 .207 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu O6 Sr2 Tl2 |
| |
Martin C, Maignan A, Huve M, Michel C, Hervieu M, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 30 (1993) 7-18 |
|
The influence of alkaline-earth ions on the properties of the "2201" |
|
superconductive cuprates: the solid solution Tl2Ba2-xSrxCuO6+d |
|
_cod_database_code 1001522 |
|
_database_code_amcsd 0012562 |
|
3.7464 3.7464 22.3013 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 .044 0 .2009 .25 |
|
Sr1 .5 .5 .0806 |
|
Cu1 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 0 .107 |
|
O3 .58 0 .206 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd0.33 Cu2.11 O7 Pb0.56 Sr2.09 Y0.91 |
| |
Ledesert M, Labbe P, Groult D, Daniel P, Hervieu M, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 30 (1993) 357-367 |
|
The crystal structure of the cadmium derivative 1212 lead cuprate (Pb, |
|
Cd)Sr2YCu2O7 |
|
_cod_database_code 1001518 |
|
_database_code_amcsd 0012568 |
|
3.8108 3.8108 11.927 90 90 90 P4/mmm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 0 0 0 .56 .0405 .0405 .0073 0 0 0 |
|
Cd1 0 0 0 .26 .0405 .0405 .0073 0 0 0 |
|
Y1 .5 .5 .5 .91 .0061 .0061 .0115 0 0 0 |
|
Sr1 .5 .5 .5 .09 .0061 .0061 .0115 0 0 0 |
|
Sr2 .5 .5 .2091 .0125 .0125 .0139 0 0 0 |
|
Cu1 0 0 .3614 .0046 .0046 .0128 0 0 0 |
|
O1 0 .5 .3782 .012 .003 .024 0 0 0 |
|
O2 0 0 .168 .017 .017 .025 0 0 0 |
|
O3 .36 .5 0 .25 .08 .03 .03 0 0 0 |
|
Cd2 0 .190 0 .0175 |
|
Cu2 0 .190 0 .0275 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
BiPbBaLaCuO6 |
| |
Michel C, Pelloquin D, Hervieu M, Raveau B, Bouree F |
|   |
European Journal of Solid State and Inorganic Chemistry 30 (1993) 991-996 |
|
Neutron diffraction study of the modulation free 2201-type structure: BiPbBaLaCuO6 |
|
_cod_database_code 1001570 |
|
_database_code_amcsd 0012585 |
|
5.4071 5.4895 24.549 90 90 90 Pnan |
|
atom x y z occ |
|
Bi1 -.0052 .2666 .0605 .5 |
|
Pb1 -.0052 .2666 .0605 .5 |
|
Ba1 .0089 .75 .1756 .5 |
|
La1 .0089 .75 .1756 .5 |
|
Cu1 .5 .75 .25 |
|
O1 .75 0 .25 |
|
O2 .4966 .7814 .1464 |
|
O3 .9025 .6450 .0696 .5 |
|
O4 .0975 .6450 .0696 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu1.85 Fe0.3 O10 Sr4 Tl0.85 |
| |
Letouze F, Martin C, Hervieu M, Nguyen N, Maignan A, Michel C, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 34 (1997) 983-990 |
|
Stabilisation of a thallium oxycarbonate by trivalent iron: |
|
Tl0.85Sr4Cu1.85Fe0.30(CO3)O7 |
|
_cod_database_code 1001793 |
|
_database_code_amcsd 0012611 |
|
3.8246 3.8246 16.5069 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .069 0 0 .2125 |
|
Fe1 .069 0 0 .0175 |
|
Cu1 .069 0 0 .02 |
|
Sr1 .5 .5 .1587 |
|
Sr2 .5 .5 .3737 |
|
Cu2 0 0 .2634 .885 |
|
Fe2 0 0 .2634 .115 |
|
C1 0 0 .5 |
|
O1 .53 .5 0 .25 |
|
O2 0 0 .123 |
|
O3 .146 0 .418 .25 |
|
O4 .34 0 .5 .25 |
|
O5 .5 0 .271 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ce0.5 Cu2 Nd1.5 O9 Pb0.5 Sr2.5 |
| |
Gambardella M, Domenges B, Rouillon T, Hervieu M, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 39 (1992) 333-345 |
|
Introduction of fluorite layers in the 1212-type structure: the oxide |
|
(Pb.5Sr.5)Sr2Nd2-xCexCu2O9-d |
|
_cod_database_code 1001531 |
|
_database_code_amcsd 0012629 |
|
3.8783 3.8783 29.495 90 90 90 I4/mmm |
|
atom x y z occ |
|
Pb1 0 0 0 .5 |
|
Sr1 0 0 0 .5 |
|
Sr2 .5 .5 .0864 |
|
Cu1 0 0 .1476 |
|
Nd1 .5 .5 .2063 .75 |
|
Ce1 .5 .5 .2063 .25 |
|
O1 .5 .5 0 |
|
O2 0 0 .07 |
|
O3 .5 0 .25 |
|
O4 .5 0 .149 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu Nd O2.5 |
| |
Chen B, Walker D, Suard E, Scott B, Mercey B, Hervieu M, Raveau B |
|   |
Inorganic Chemistry 34 (1995) 2077-2083 |
|
High pressure synthesis of Nd Cu O3-d perovskites (0 |
|
_cod_database_code 1001663 |
|
_database_code_amcsd 0012711 |
|
5.596 10.29 3.806 90 90 90 Pbam |
|
atom x y z |
|
Nd1 .3224 .3564 .5 |
|
Cu1 .2985 .0981 0 |
|
O1 .281 .098 .5 |
|
O2 .543 .223 0 |
|
O3 0 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu Nd O2.6 |
| |
Chen B, Walker D, Suard E, Scott B, Mercey B, Hervieu M, Raveau B |
|   |
Inorganic Chemistry 34 (1995) 2077-2083 |
|
High pressure synthesis of Nd Cu O3-d perovskites (0 |
|
_cod_database_code 1001664 |
|
_database_code_amcsd 0012712 |
|
8.560 8.534 3.777 90 90 90.45 P2/m |
|
atom x y z |
|
Nd1 .5 .5 .5 |
|
Nd2 .1369 .7293 .5 |
|
Nd3 .2732 .1459 .5 |
|
Cu1 0 0 0 |
|
Cu2 .166 .420 0 |
|
Cu3 .429 .830 0 |
|
O1 .075 .159 0 |
|
O2 .366 .281 0 |
|
O3 .281 .611 0 |
|
O4 .239 .943 0 |
|
O5 .154 .424 .5 |
|
O6 .396 .824 .5 |
|
O7 0 0 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu Nd O2.93 |
| |
Chen B, Walker D, Suard E, Scott B, Mercey B, Hervieu M, Raveau B |
|   |
Inorganic Chemistry 34 (1995) 2077-2083 |
|
High pressure synthesis of Nd Cu O3-d perovskites (0 |
|
_cod_database_code 1001665 |
|
_database_code_amcsd 0012713 |
|
5.334 6.308 7.196 90 90 90 Pbnm |
|
atom x y z occ |
|
Nd1 .0250 .0961 .25 |
|
Cu1 .5 0 0 |
|
O1 .620 .975 .25 .977 |
|
O2 .276 .342 .054 .977 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu Fe O6 Pb2 Sr2 |
| |
Rouillon T, Caldes M, Genouel R, Michel C, Hervieu M, Raveau B |
|   |
Journal of Materials Chemistry 5 (1995) 1163-1170 |
|
An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6 |
|
_cod_database_code 1001710 |
|
_database_code_amcsd 0013075 |
|
5.4604 5.5227 12.2112 90 90 90 Cmmm |
|
atom x y z occ |
|
Cu1 0 0 0 |
|
Pb1 0 .5 .1446 |
|
Sr1 0 0 .3569 |
|
Fe1 .5 0 .5 |
|
O1 .096 .079 .147 .25 |
|
O2 0 .5 .332 |
|
O3 .25 .25 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu Fe O6 Pb2 Sr2 |
| |
Rouillon T, Caldes M, Genouel R, Michel C, Hervieu M, Raveau B |
|   |
Journal of Materials Chemistry 5 (1995) 1163-1170 |
|
An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6 |
|
_cod_database_code 1001711 |
|
_database_code_amcsd 0013076 |
|
5.4606 5.5228 12.2112 90 90 90 P2an |
|
atom x y z |
|
Cu1 0 0 0 |
|
Pb1 0 .506 .1445 |
|
Sr1 0 -.002 .3567 |
|
Fe1 .5 0 .5 |
|
O1 .108 -.090 .145 |
|
O2 0 .5 .332 |
|
O3 .25 .25 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu Fe O6 Pb2 Sr2 |
| |
Rouillon T, Caldes M, Genouel R, Michel C, Hervieu M, Raveau B |
|   |
Journal of Materials Chemistry 5 (1995) 1163-1170 |
|
An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6 |
|
_cod_database_code 1001712 |
|
_database_code_amcsd 0013077 |
|
5.4604 5.5227 12.2110 90 90 90 P2_1am |
|
atom x y z |
|
Cu1 .25 .25 0 |
|
Pb1 .25 .751 .1446 |
|
Sr1 .25 .256 .3570 |
|
Fe1 .25 .75 .5 |
|
O1 .164 .176 .148 |
|
O2 .25 .75 .333 |
|
O3 0 0 .5 |
|
O4 .5 .5 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Bi Cu La O6 Pb |
| |
Pham A, Michel C, Hervieu M, Maignan A, Raveau B |
|   |
Journal of Physics and Chemistry of Solids 54 (1993) 65-71 |
|
Substitution of lead for bismuth in the 2201-type oxide |
|
Bi2BaLaCuO6+d |
|
_cod_database_code 1001550 |
|
_database_code_amcsd 0013237 |
|
5.4028 5.4745 24.515 90 90 90 Fmmm |
|
atom x y z occ |
|
Bi1 .033 0 .1897 .25 |
|
Pb1 .033 0 .1897 .25 |
|
Ba1 0 0 .4247 .5 |
|
La1 0 0 .4247 .5 |
|
Cu1 0 0 0 |
|
O1 .25 .25 0 |
|
O2 0 0 .0968 |
|
O3 .094 .110 .3067 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Cu2 Nd O7 Sr Tl |
| |
Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B |
|   |
Journal of Physics and Chemistry of Solids 54 (1993) 145-152 |
|
Influence of the size of alkaline earth cations on the structural |
|
distortion and transport properties of the semiconducting 1212 - type |
|
cuprates TlBa2-xSrxLnCu2O7 |
|
_cod_database_code 1001523 |
|
_database_code_amcsd 0013238 |
|
3.8798 3.8798 12.2573 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .081 0 0 .25 |
|
Ba1 .5 .5 .2084 .5 |
|
Sr1 .5 .5 .2084 .5 |
|
Nd1 .5 .5 .5 |
|
Cu1 0 0 .3609 |
|
O1 0 .5 .376 |
|
O2 0 0 .174 |
|
O3 .5 .5 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu2 Nd O7 Sr2 Tl |
| |
Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B |
|   |
Journal of Physics and Chemistry of Solids 54 (1993) 145-152 |
|
Influence of the size of alkaline earth cations on the structural |
|
distortion and transport properties of the semiconducting 1212 - type |
|
cuprates TlBa2-xSrxLnCu2O7 |
|
_cod_database_code 1001524 |
|
_database_code_amcsd 0013239 |
|
3.8503 3.8503 12.0724 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .069 0 0 .25 |
|
Sr1 .5 .5 .2092 |
|
Nd1 .5 .5 .5 |
|
Cu1 0 0 .3581 |
|
O1 0 .5 .366 |
|
O2 0 0 .176 |
|
O3 .5 .5 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Cu2 O7 Sr Tl Y |
| |
Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B |
|   |
Journal of Physics and Chemistry of Solids 54 (1993) 145-152 |
|
Influence of the size of alkaline earth cations on the structural |
|
distortion and transport properties of the semiconducting 1212 - type |
|
cuprates TlBa2-xSrxLnCu2O7 |
|
_cod_database_code 1001525 |
|
_database_code_amcsd 0013240 |
|
3.8421 3.8421 12.2064 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .085 0 0 .25 |
|
Ba1 .5 .5 .2098 .5 |
|
Sr1 .5 .5 .2098 .5 |
|
Y1 .5 .5 .5 |
|
Cu1 0 0 .3638 |
|
O1 0 .5 .391 |
|
O2 0 0 .179 |
|
O3 .5 .5 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu2 O7 Sr2 Tl Y |
| |
Huve M, Martin C, Michel C, Maignan A, Hervieu M, Raveau B |
|   |
Journal of Physics and Chemistry of Solids 54 (1993) 145-152 |
|
Influence of the size of alkaline earth cations on the structural |
|
distortion and transport properties of the semiconducting 1212 - type |
|
cuprates TlBa2-xSrxLnCu2O7 |
|
_cod_database_code 1001526 |
|
_database_code_amcsd 0013241 |
|
3.8157 3.8157 11.9963 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .060 0 0 .25 |
|
Sr1 .5 .5 .2101 |
|
Y1 .5 .5 .5 |
|
Cu1 0 0 .3638 |
|
O1 0 .5 .378 |
|
O2 0 0 .173 |
|
O3 .5 .5 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca0.3333 Nb0.6667 O3 Sr |
| |
Hervieu M, Raveau B |
|   |
Journal of Solid State Chemistry 28 (1979) 209-222 |
|
Les Perovskites (Ca1-x Srx) (Ca.3333 Nb.6667) O3 |
|
_cod_database_code 1001072 |
|
_database_code_amcsd 0013365 |
|
8.19 8.19 8.209 90 90 90 P-4 |
|
atom x y z occ |
|
Sr1 .25 .25 .255 |
|
Sr2 .25 .25 .739 |
|
Ca1 0 0 0 .6667 |
|
Ca2 .5 .5 0 .6667 |
|
Ca3 0 .5 .479 .6667 |
|
Nb1 0 0 0 .3333 |
|
Nb2 .5 .5 0 .3333 |
|
Nb3 0 .5 .479 .3333 |
|
Nb4 0 0 .5 |
|
Nb5 .5 .5 .5 |
|
Nb6 0 .5 -.022 |
|
O1 0 0 .2696 |
|
O2 .5 .5 .2694 |
|
O3 0 .5 .2304 |
|
O4 0 .5 .7696 |
|
O5 .248 .584 .5 |
|
O6 .23 -.084 .5 |
|
O7 .248 -.084 0 |
|
O8 .23 .584 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cs Nb O7 Ti2 |
| |
Hervieu M, Raveau B |
|   |
Journal of Solid State Chemistry 32 (1980) 161-165 |
|
A Layer Structure: The Titanoniobate Cs Ti2 Nb O7 |
|
_cod_database_code 1001131 |
|
_database_code_amcsd 0013382 |
|
9.326 18.412 3.798 90 90 90 Pnam |
|
atom x y z occ |
|
Cs1 .2921 .2117 .75 |
|
Ti1 .9538 .0629 .25 .8 |
|
Ti2 .26 .0209 .25 .9 |
|
Ti3 .6198 .1159 .25 .3 |
|
Nb1 .9538 .0629 .25 .2 |
|
Nb2 .26 .0209 .25 .1 |
|
Nb3 .6198 .1159 .25 .7 |
|
O1 .5361 .2118 .25 |
|
O2 .8172 .1411 .25 |
|
O3 .148 .0982 .25 |
|
O4 .4305 .0599 .25 |
|
O5 .2287 .4983 .25 |
|
O6 .5478 .5413 .25 |
|
O7 .8401 .6 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K3 Nb O14 Ti5 |
| |
Hervieu M, Rebbah A, Desgardin G, Raveau B |
|   |
Journal of Solid State Chemistry 35 (1980) 200-206 |
|
Layer Structure: The Oxides A3 Ti5 M O14 |
|
_cod_database_code 1001106 |
|
_database_code_amcsd 0013410 |
|
18.371 3.794 9.199 90 101.21 90 C2/m |
|
atom x y z occ |
|
K1 -.012 0 .070 .5 |
|
K2 .0800 0 .602 |
|
Ti1 .6268 0 .330 .575 |
|
Nb1 .6268 0 .330 .425 |
|
Ti2 .6795 0 .016 .925 |
|
Nb2 .6795 0 .016 .075 |
|
Ti3 .7294 0 .712 |
|
O1 .540 0 .373 |
|
O2 .598 0 .086 |
|
O3 .653 0 .813 |
|
O4 .678 0 .534 |
|
O5 .726 0 .265 |
|
O6 .793 0 .972 |
|
O7 .848 0 .669 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K3 O14 Ta Ti5 |
| |
Hervieu M, Rebbah A, Desgardin G, Raveau B |
|   |
Journal of Solid State Chemistry 35 (1980) 200-206 |
|
Layer Structure: The Oxides A3 Ti5 M O14 |
|
_cod_database_code 1001107 |
|
_database_code_amcsd 0013411 |
|
18.363 3.791 9.174 90 101.28 90 C2/m |
|
atom x y z occ |
|
K1 -.010 0 .054 .5 |
|
K2 .0806 0 .623 |
|
Ti1 .6253 0 .321 .6 |
|
Ta1 .6253 0 .321 .4 |
|
Ti2 .6784 0 .020 .95 |
|
Ta2 .6784 0 .20 .05 |
|
Ti3 .7310 0 .716 .95 |
|
Ta3 .7310 0 .716 .05 |
|
O1 .528 0 .387 |
|
O2 .600 0 .104 |
|
O3 .651 0 .801 |
|
O4 .683 0 .524 |
|
O5 .741 0 .25 |
|
O6 .794 0 .981 |
|
O7 .848 0 .661 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Nb O14 Rb3 Ti5 |
| |
Hervieu M, Rebbah A, Desgardin G, Raveau B |
|   |
Journal of Solid State Chemistry 35 (1980) 200-206 |
|
Layer Structuer: The Oxides A3 Ti5 M O14 |
|
_cod_database_code 1001108 |
|
_database_code_amcsd 0013412 |
|
19.073 3.814 9.223 90 100.93 90 C2/m |
|
atom x y z occ |
|
Rb1 -.012 0 .049 .5 |
|
Rb2 .0730 0 .627 |
|
Ti1 .6317 0 .333 .55 |
|
Nb1 .6317 0 .333 .45 |
|
Ti2 .6856 0 .014 .95 |
|
Nb2 .6856 0 .014 .05 |
|
Ti3 .7328 0 .708 |
|
O1 .5354 0 .361 |
|
O2 .610 0 .106 |
|
O3 .660 0 .815 |
|
O4 .683 0 .538 |
|
O5 .741 0 .268 |
|
O6 .788 0 .946 |
|
O7 .850 0 .657 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu La0.74 O4 Sr1.2 |
| |
Nguyen N, Choisnet J, Hervieu M, Raveau B |
|   |
Journal of Solid State Chemistry 39 (1981) 120-127 |
|
Oxygen Defect K2NiF4-Type Oxides: The Compounds La2-xSrxCuO4-x/2+d |
|
_cod_database_code 1001204 |
|
_database_code_amcsd 0013418 |
|
18.804 18.804 12.941 90 90 90 I4/mmm |
|
atom x y z occ |
|
Sr1 0 0 .347 |
|
Sr2 .194 0 .359 .75 |
|
La1 .194 0 .359 .25 |
|
Sr3 .403 0 .356 .75 |
|
La2 .403 0 .356 .25 |
|
Sr4 .2 .2 .357 |
|
Sr5 .41 .41 .358 |
|
La3 .389 .192 .357 .9 |
|
Cu1 0 0 0 |
|
Cu2 .2 0 0 |
|
Cu3 .4 0 0 |
|
Cu4 .2 .2 0 |
|
Cu5 .405 .405 0 |
|
Cu6 .403 .205 0 |
|
O1 0 0 .168 |
|
O2 .216 0 .168 |
|
O3 .382 0 .168 |
|
O4 .182 .182 .172 |
|
O5 .4 .4 .168 |
|
O6 .4 .202 .163 |
|
O7 .1 0 0 |
|
O8 .3 0 0 |
|
O9 0 .5 0 |
|
O10 .214 .1 0 |
|
O11 .43 .1 0 |
|
O12 .3 .2 0 |
|
O13 .39 .31 0 |
|
O14 .2 .5 0 |
|
O15 .4 .5 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
LiFeSnO4 |
| |
Choisnet J, Hervieu M, Raveau B, Tarte P |
|   |
Journal of Solid State Chemistry 40 (1981) 344-351 |
|
Two Polymorphous Lithium Stannoferrites LiFeSnO4: A Ramsdellite- |
|
Type and a Hexagonal Close-Packed Structure |
|
_cod_database_code 1001219 |
|
_database_code_amcsd 0013458 |
|
3.066 5.066 9.874 90 90 90 Pmcn |
|
atom x y z occ |
|
Li1 .25 .86 .44 .25 |
|
Li2 .25 .97 .57 .25 |
|
Fe1 .25 .981 .1418 .5 |
|
Sn1 .25 .981 .1418 .5 |
|
O1 .25 .687 .284 |
|
O2 .25 .212 -.040 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fe Li O4 Sn |
| |
Choisnet J, Hervieu M, Raveau B, Tarte P |
|   |
Journal of Solid State Chemistry 40 (1981) 344-351 |
|
Two Polymorphous Lithium Stannoferrites Li Fe Sn O4: A Ramsdellite- |
|
Type and a Hexagonal Close-Packed Structure |
|
_cod_database_code 1001220 |
|
_database_code_amcsd 0013459 |
|
6.012 6.012 9.776 90 90 120 P6_3mc |
|
atom x y z occ |
|
Sn1 1/3 2/3 .497 |
|
Li1 1/6 -1/6 .214 .146 |
|
Fe1 1/6 -1/6 .214 .52 |
|
Sn2 1/6 -1/6 .214 .333 |
|
Li2 1/3 2/3 -.082 .56 |
|
Fe2 1/3 2/3 -.082 .44 |
|
Li3 0 0 .51 |
|
O1 0 0 .325 |
|
O2 1/3 2/3 .107 |
|
O3 .481 -.481 .342 |
|
O4 .160 -.160 .612 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Al Cr2 Li2 O8 Sb |
| |
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 44 (1982) 282-289 |
|
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8 |
|
_cod_database_code 1001227 |
|
_database_code_amcsd 0013487 |
|
5.796 5.796 9.466 90 90 120 P6_3mc |
|
atom x y z occ |
|
Li1 1/3 2/3 -.116 |
|
Li2 0 0 .512 |
|
Cr1 .1724 -.1724 .2151 .6667 |
|
Al1 .1724 -.1724 .2151 .3333 |
|
Sb1 1/3 2/3 .4910 |
|
O1 0 0 .302 |
|
O2 1/3 2/3 .090 |
|
O3 .482 -.482 .346 |
|
O4 .165 -.165 .596 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Al2 Cr Li2 O8 Sb |
| |
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 44 (1982) 282-289 |
|
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8 |
|
_cod_database_code 1001228 |
|
_database_code_amcsd 0013488 |
|
5.703 5.703 9.392 90 90 120 P6_3mc |
|
atom x y z occ |
|
Li1 1/3 2/3 -.076 |
|
Li2 0 0 .555 |
|
Cr1 .1660 -.1660 .2503 .3333 |
|
Al1 .1660 -.1660 .2503 .6667 |
|
Sb1 1/3 2/3 .5202 |
|
O1 0 0 .338 |
|
O2 1/3 2/3 .165 |
|
O3 .490 -.490 .389 |
|
O4 .171 -.171 .652 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cr2 Fe Li2 O8 Sb |
| |
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 44 (1982) 282-289 |
|
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8 |
|
_cod_database_code 1001229 |
|
_database_code_amcsd 0013489 |
|
5.867 5.867 9.542 90 90 120 P6_3mc |
|
atom x y z occ |
|
Li1 1/3 2/3 -.097 |
|
Li2 0 0 .523 |
|
Cr1 .1710 -.1710 .2118 .6667 |
|
Fe1 .1710 -.1710 .2118 .3333 |
|
Sb1 1/3 2/3 .4914 |
|
O1 0 0 .310 |
|
O2 1/3 2/3 .101 |
|
O3 .475 -.475 .365 |
|
O4 .171 -.171 .598 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fe3 Li2 O8 Sb |
| |
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 44 (1982) 282-289 |
|
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8 |
|
_cod_database_code 1001230 |
|
_database_code_amcsd 0013490 |
|
5.923 5.923 9.641 90 90 120 P6_3mc |
|
atom x y z occ |
|
Li1 1/3 2/3 -.072 .55 |
|
Fe1 1/3 2/3 -.072 .45 |
|
Li2 0 0 .510 .67 |
|
Fe2 0 0 .510 .33 |
|
Li3 .1697 -.1697 .204 .26 |
|
Fe3 .1697 -.1697 .204 .63 |
|
Sb1 .1697 -.1697 .204 .11 |
|
Sb2 1/3 2/3 .4802 .67 |
|
Fe4 1/3 2/3 .4802 .33 |
|
O1 0 0 .304 |
|
O2 1/3 2/3 .114 |
|
O3 .481 -.481 .344 |
|
O4 .180 -.180 .581 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cr2 Fe Li2 O8 Sb |
| |
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 44 (1982) 282-289 |
|
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8 |
|
_cod_database_code 1001231 |
|
_database_code_amcsd 0013491 |
|
8.398 8.398 8.398 90 90 90 Fd3m |
|
atom x y z occ |
|
Li1 0 0 0 .3333 |
|
Cr1 0 0 0 .3333 |
|
Fe1 0 0 0 .1667 |
|
Sb1 0 0 0 .1667 |
|
Li2 .625 .625 .625 .3333 |
|
Cr2 .625 .625 .625 .3333 |
|
Fe2 .625 .625 .625 .1667 |
|
Sb2 .625 .625 .625 .1667 |
|
O1 .384 .384 .384 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fe3 Li2 O8 Sb |
| |
Tarte P, Cahay R, Preudhomme J, Hervieu M, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 44 (1982) 282-289 |
|
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8 |
|
_cod_database_code 1001232 |
|
_database_code_amcsd 0013492 |
|
8.425 8.425 8.425 90 90 90 Fd3m |
|
atom x y z occ |
|
Li1 0 0 0 .3333 |
|
Fe1 0 0 0 .5 |
|
Sb1 0 0 0 .1667 |
|
Li2 .625 .625 .625 .3333 |
|
Fe2 .625 .625 .625 .5 |
|
Sb2 .625 .625 .625 .1667 |
|
O1 .382 .382 .382 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
LiFeSnO4 |
| |
Lacorre P, Hervieu M, Pannetier J, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 50 (1983) 196-203 |
|
Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a |
|
nonstoichiometric ramsdellite and its transition to a double hexagonal |
|
close packed structure for x = 0 |
|
_cod_database_code 1000432 |
|
_database_code_amcsd 0013515 |
|
3.066 5.066 9.874 90 90 90 Pmcn |
|
atom x y z occ |
|
Li1 .25 .935 .466 .38 |
|
Li2 .25 .972 .605 .12 |
|
Fe1 .25 .9861 .1419 .5 |
|
Sn1 .25 .9861 .1419 .5 |
|
O1 .25 .7076 .2828 |
|
O2 .25 .2039 -.0394 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Li.7Fe.375Sn.54O2 |
| |
Lacorre P, Hervieu M, Pannetier J, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 50 (1983) 196-203 |
|
Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a |
|
nonstoichiometric ramsdellite and its transition to a double hexagonal |
|
close packed structure for x = 0 |
|
_cod_database_code 1000433 |
|
_database_code_amcsd 0013516 |
|
3.074 5.116 9.881 90 90 90 Pmcn |
|
atom x y z occ |
|
Li1 .25 .907 .423 .625 |
|
Li2 .25 .9663 .1362 .083 |
|
Fe1 .25 .9663 .1362 .375 |
|
Sn1 .25 .9663 .1362 .542 |
|
O1 .25 .6602 .2704 |
|
O2 .25 .2154 -.0347 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
LiFeSnO4 |
| |
Lacorre P, Hervieu M, Pannetier J, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 50 (1983) 196-203 |
|
Neutron diffraction study of Li1+x (Li2x/3 Fe1-x Sn1+x/3) O4, a |
|
nonstoichiometric ramsdellite and its transition to a double hexagonal |
|
close packed structure for x = 0 |
|
_cod_database_code 1000434 |
|
_database_code_amcsd 0013517 |
|
6.012 6.012 9.776 90 90 120 P6_3mc |
|
atom x y z occ |
|
Li1 1/3 2/3 -.095 .56 |
|
Fe1 1/3 2/3 -.095 .44 |
|
Li2 0 0 .502 |
|
Sn1 1/3 2/3 .4862 |
|
Li3 .1675 -.1675 .214 .1467 |
|
Fe2 .1675 -.1675 .214 .52 |
|
Sn2 .1675 -.1675 .214 .3333 |
|
O1 0 0 .3145 |
|
O2 1/3 2/3 .1076 |
|
O3 .4808 -.4808 .3464 |
|
O4 .1737 -.1737 .6036 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fe4 Li4.66 O16 Sb2 Sn1.32 |
| |
Lacorre P, Hervieu M, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 51 (1984) 44-52 |
|
Oxydes M3 O4 a empilement hexagonal double type D.H.LiFeSnO4 |
|
(M = Li,Fe,Sb,Sn): Transitions reversibles ramsdellite - D.H.LiFeSnO4 |
|
_cod_database_code 1000196 |
|
_database_code_amcsd 0013519 |
|
5.950 5.950 9.701 90 90 120 P6_3mc |
|
atom x y z occ |
|
Sb1 1/3 2/3 .4999 .5723 |
|
Sn1 1/3 2/3 .4999 .3777 |
|
Fe1 1/3 2/3 .4999 .05 |
|
Fe2 .1692 -.1692 .2216 .53 |
|
Sb2 .1692 -.1692 .2216 .1446 |
|
Sn2 .1692 -.1692 .2216 .0954 |
|
Li1 .1692 -.1692 .2216 .23 |
|
Li2 1/3 2/3 -.075 .64 |
|
Fe3 1/3 2/3 -.075 .36 |
|
Li3 0 0 .510 |
|
O1 0 0 .3146 |
|
O2 1/3 2/3 .1216 |
|
O3 .4784 -.4784 .3609 |
|
O4 .1607 -.1607 .6077 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fe2 Li2.33 O8 Sb Sn0.66 |
| |
Lacorre P, Hervieu M, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 51 (1984) 44-52 |
|
Oxydes M3 O4 a empilement hexagonal double type D.H.LiFeSnO4 |
|
(M = Li,Fe,Sb,Sn): Transitions reversibles ramsdellite - D.H.LiFeSnO4 |
|
_cod_database_code 1000197 |
|
_database_code_amcsd 0013520 |
|
3.031 5.045 9.798 90 90 90 Pmcn |
|
atom x y z occ |
|
Li1 .25 .925 .425 .25 |
|
Li2 .25 .91 .55 .25 |
|
Li3 .25 .974 .1396 .0833 |
|
Fe1 .25 .974 .1396 .5 |
|
Sb1 .25 .974 .1396 .25 |
|
Sn1 .25 .974 .1396 .1667 |
|
O1 .25 .725 .270 |
|
O2 .25 .219 -.043 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba0.15 O3 W |
| |
Michel C, Hervieu M, Tilley R, Raveau B |
|   |
Journal of Solid State Chemistry 52 (1984) 281-291 |
|
Ba.15 W O3: A Bronze with an Original Pentagonal Tunnel Structure |
|
_cod_database_code 1001273 |
|
_database_code_amcsd 0013525 |
|
8.859 10.039 3.808 90 90 90 Pbmm |
|
atom x y z occ |
|
Ba1 .920 .25 .5 .45 |
|
W1 .5695 .25 0 |
|
W2 .2054 .4393 0 |
|
O1 .567 .25 .5 |
|
O2 .198 .408 .5 |
|
O3 .171 .25 0 |
|
O4 0 0 0 |
|
O5 .432 .106 0 |
|
O6 .722 .123 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
KCuTa3O9 |
| |
Groult D, Hervieu M, Raveau B |
|   |
Journal of Solid State Chemistry 53 (1984) 184-192 |
|
A Pentagonal Tunnel Structure with Copper in Square Planar |
|
Coordination: The Oxides KCuNb3O9 and KCuTa3O9 |
|
_cod_database_code 1001197 |
|
_database_code_amcsd 0013527 |
|
8.862 10.187 7.638 90 90 90 Pnc2 |
|
atom x y z |
|
K1 .081 .259 .255 |
|
Cu1 .5 0 .252 |
|
Cu2 .5 0 .752 |
|
Ta1 .4292 .252 -.003 |
|
Ta2 .8021 .4360 -.018 |
|
Ta3 .7991 .0613 -.012 |
|
O1 0 0 0 |
|
O2 0 0 .5 |
|
O3 .260 .118 -.031 |
|
O4 .259 .403 .061 |
|
O5 .575 .384 .058 |
|
O6 .576 .392 .461 |
|
O7 .875 .253 .006 |
|
O8 .406 .186 .258 |
|
O9 .171 .589 .249 |
|
O10 .271 .540 .757 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca3 Mn3 O8.02 |
| |
Nguyen N, Calage Y, Varret F, Ferey G, Caignaert V, Hervieu M, Raveau B |
|   |
Journal of Solid State Chemistry 53 (1984) 398-405 |
|
The oxygen defect Perovskite Ca3 Mn1.35 Fe1.65 O8.02: a highly |
|
frustrated antiferromagnet |
|
_cod_database_code 1000194 |
|
_database_code_amcsd 0013529 |
|
5.332 11.13 5.455 90 90 90 Pm2a |
|
atom x y z occ |
|
Ca1 .25 .5 .75 |
|
Ca2 .24 .183 .7 .5 |
|
Ca3 .24 .834 .7 .5 |
|
Mn1 .27 .332 .259 .5 |
|
Mn2 .25 .665 .255 |
|
Mn3 .232 0 .237 .5 |
|
O1 0 .329 0 |
|
O2 0 .665 0 |
|
O3 0 .33 .5 |
|
O4 0 .66 .5 |
|
O5 .25 .5 .25 .7 |
|
O6 .25 .17 .25 |
|
O7 .25 .829 .25 |
|
O8 0 .01 0 |
|
O9 0 .01 .5 .3 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
O5 P Ta |
| |
Chahboun H, Groult D, Hervieu M, Raveau B |
|   |
Journal of Solid State Chemistry 65 (1986) 331-342 |
|
beta Nb P O5 and beta Ta P O5: Bronzoids, second members of the |
|
monophosphate tungsten bronze series (P O2)4 (W O3)2M |
|
_cod_database_code 1001681 |
|
_database_code_amcsd 0013588 |
|
13.07 5.281 13.24 90 120.4 90 P2_1/c |
|
atom x y z |
|
Ta1 .4323 .248 .3007 |
|
Ta2 .9389 .249 .1327 |
|
P1 .150 .25 .053 |
|
P2 .652 .25 .084 |
|
O1 0 0 .25 |
|
O2 .5 .5 .25 |
|
O3 .878 0 .016 |
|
O4 .878 .5 .018 |
|
O5 .378 .5 .377 |
|
O6 .377 0 .377 |
|
O7 .787 .25 .133 |
|
O8 .279 .25 .154 |
|
O9 .597 .25 .452 |
|
O10 .078 .25 .117 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Cu5 La4 O13.16 |
| |
Michel C, Er Rakho L, Hervieu M, Pannetier J, Raveau B |
|   |
Journal of Solid State Chemistry 68 (1987) 143-152 |
|
Ba La4 Cu5 O13+d, an oxygen-deficient perovskite built pu from corner- |
|
sharing Cu O6 octahedra and Cu O5 pyramids |
|
_cod_database_code 1001688 |
|
_database_code_amcsd 0013600 |
|
8.6475 8.6475 3.8594 90 90 90 P4/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .5 .5 .5 .0088 .0088 .007 0 0 0 |
|
La1 .1262 .2789 .5 |
|
Cu1 0 0 0 |
|
Cu2 .4154 .1718 0 |
|
O1 0 0 .5 .0260 .0260 .0007 0 0 0 |
|
O2 0 .5 0 .06 |
|
O3 .2697 .3905 0 |
|
O4 .2267 .0650 0 |
|
O5 .4157 .1559 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Fe0.233 Mn0.767 O2.87 |
| |
Caignaert V, Hervieu M, Domenges B, Nguyen N, Pannetier J, Raveau B |
|   |
Journal of Solid State Chemistry 73 (1988) 107-117 |
|
BaMn1-xFexO3-d, and Oxygen-Deficient 6H' Oxide Electron |
|
Microscopy, Powder Neutron Diffraction, and Mossbauer Study |
|
_cod_database_code 1001348 |
|
_database_code_amcsd 0013610 |
|
5.687 5.687 14.167 90 90 120 P-6m2 |
|
atom x y z occ |
|
Ba1 0 0 0 |
|
Ba2 1/3 2/3 .5 |
|
Ba3 1/3 2/3 .178 |
|
Ba4 2/3 1/3 .342 |
|
Mn1 0 0 .243 .87 |
|
Fe1 0 0 .243 .13 |
|
Mn2 0 0 .417 .98 |
|
Fe2 0 0 .417 .02 |
|
Mn3 2/3 1/3 .113 .46 |
|
Fe3 2/3 1/3 .113 .54 |
|
O1 .848 .696 .5 |
|
O2 .523 .046 0 .74 |
|
O3 .836 .672 .166 |
|
O4 .152 .304 .329 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba2 Cu2.5 O7 Pd0.5 Y |
| |
Ferey G, Le B, Laligant Y, Hervieu M, Raveau B, Sulpice A, Tournier R |
|   |
Journal of Solid State Chemistry 73 (1988) 610-614 |
|
Ordered Pd^2+^ - Cu^2+^ Substitution on 1.2.3 Superconductor: The Oxide |
|
Y Ba2 Cu(3-x) Pdx Oy (x=0.5) with Pd2+ in Square Planar Coordination |
|
_cod_database_code 1008372 |
|
_database_code_amcsd 0016282 |
|
3.841 3.883 11.671 90 90 90 Pmmm |
|
atom x y z occ |
|
Y1 .5 .5 .5 |
|
Ba1 .5 .5 .1841 |
|
Cu1 0 0 .3582 |
|
Cu2 0 0 0 .5 |
|
Pd1 0 0 0 .5 |
|
O1 0 0 .158 |
|
O2 0 .5 .367 |
|
O3 .5 0 .388 |
|
O4 .5 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba2 Ca1.9 Cu3 O10.94 Tl1.82 |
| |
Hervieu M, Michel C, Maignan A, Martin C, Raveau B |
|   |
Journal of Solid State Chemistry 74 (1988) 428-432 |
|
The 125 K Superconductor Tl2-x Ba2 Ca2 Cu3 O10+d: A Tentative |
|
Structural Model |
|
_cod_database_code 1001366 |
|
_database_code_amcsd 0013617 |
|
3.85 3.85 35.6 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 0 0 .2185 .879 |
|
Ba1 0 0 .6428 |
|
Ca1 0 0 .5432 .97 |
|
Tl2 0 0 .5432 .03 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .0995 |
|
O1 0 .5 0 |
|
O2 0 0 .049 .47 |
|
O3 0 .5 .095 |
|
O4 0 0 .155 |
|
O5 0 0 .718 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba2 Ca Cu2 O7 Tl |
| |
Hervieu M, Maignan A, Martin C, Michel C, Provost J, Raveau B |
|   |
Journal of Solid State Chemistry 75 (1988) 212-215 |
|
A New Member of the Thallium Superconductive Series. The "1212" Oxide |
|
Tl Ba2 Ca Cu2 O8-y: Importance of Oxygen Content |
|
_cod_database_code 1001367 |
|
_database_code_amcsd 0013619 |
|
3.833 3.833 12.68 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .5 .5 .5 |
|
Ba1 0 0 .287 |
|
Tl2 0 0 0 .1 |
|
Ca1 0 0 0 .9 |
|
Cu1 .5 .5 .130 .95 |
|
O1 0 .5 .125 |
|
O2 .5 .5 .323 |
|
O3 0 0 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba0.92 Cu3 O8 Pb0.92 Sr1.15 Y1.15 |
| |
Rouillon T, Retoux R, Groult D, Michel C, Hervieu M, Provost J, Raveau B |
|   |
Journal of Solid State Chemistry 78 (1989) 322-325 |
|
PbBaYSrCu3O8: A New Member of the Intergrowth Family (ACuO3-x)m(A'O)n |
|
_cod_database_code 1001403 |
|
_database_code_amcsd 0013644 |
|
3.842 3.842 27.66 90 90 90 I4/mmm |
|
atom x y z occ |
|
Pb1 0 0 .290 .46 |
|
Ba1 0 0 .290 .46 |
|
Y1 0 0 .437 .575 |
|
Sr1 0 0 .437 .575 |
|
Cu1 0 0 .122 |
|
Cu2 0 0 0 |
|
O1 0 .5 0 |
|
O2 0 0 .2 |
|
O3 0 .5 .118 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu O5 Pr0.6 Sr1.6 Tl0.8 |
| |
Bourgault D, Martin C, Michel C, Hervieu M, Provost J, Raveau B |
|   |
Journal of Solid State Chemistry 78 (1989) 326-328 |
|
Tl1-x Prx Sr2-y Pry Cu O5-delta: First Member of the Family |
|
Tl A2 Cam-1 Cum O2m+ (A= Ba, Sr) |
|
_cod_database_code 1001404 |
|
_database_code_amcsd 0013645 |
|
3.741 3.741 8.875 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 0 0 .5 .8 |
|
Pr1 0 0 .5 .2 |
|
Sr1 .5 .5 .205 .8 |
|
Pr2 .5 .5 .205 .2 |
|
Cu1 0 0 0 |
|
O1 0 0 .259 |
|
O2 .5 .5 .5 |
|
O3 .5 0 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Bi Cu2 O8 Pb Sr2 Y |
| |
Retoux R, Caignaert V, Provost J, Michel C, Hervieu M, Raveau B |
|   |
Journal of Solid State Chemistry 79 (1989) 157-168 |
|
Superconducting properties and Structural Study of |
|
Bi2-xPbxSr2Ca1-xYxCu2O8 (0< x< 1) |
|
_cod_database_code 1001409 |
|
_database_code_amcsd 0013649 |
|
5.385 5.424 30.316 90 90 90 Fmmm |
|
atom x y z occ |
|
Bi1 0 0 .2018 .5 |
|
Pb1 0 0 .2018 .5 |
|
Sr1 0 0 .6147 |
|
Y1 0 0 .5 |
|
Cu1 0 0 .0554 |
|
O1 .25 .25 .049 |
|
O2 0 0 .686 |
|
O3 0 0 .133 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu2 O6.6 Pb0.5 Sr2.5 Y |
| |
Rouillon T, Provost J, Hervieu M, Groult D, Michel C, Raveau B |
|   |
Journal of Solid State Chemistry 84 (1990) 375-385 |
|
The solid solution Pb0.5Sr2.5Y1-xCaxCu2O7-d: |
|
Superconductivity and structure |
|
_cod_database_code 1001442 |
|
_database_code_amcsd 0013674 |
|
3.8253 3.8253 11.891 90 90 90 P4/mmm |
|
atom x y z occ |
|
Pb1 .5 .5 .5 .5 |
|
Sr1 .5 .5 .5 .5 |
|
Sr2 0 0 .2891 |
|
Y1 0 0 0 |
|
Cu1 .5 .5 .1391 |
|
O1 0 .5 .1235 |
|
O2 .5 .5 .308 .8 |
|
O3 0 0 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu6 Nd3 O17 Sr6 |
| |
Caignaert V, Retoux R, Hervieu M, Michel C, Raveau B |
|   |
Journal of Solid State Chemistry 91 (1991) 41-46 |
|
Sr6 Nd3 Cu6 O17: an intergrowth of the "123"-phase and rock salt-type |
|
structure |
|
_cod_database_code 1001697 |
|
_database_code_amcsd 0013703 |
|
3.7547 11.4882 20.0976 90 90 90 Immm |
|
atom x y z occ |
|
Nd1 0 0 0 |
|
Nd2 0 .2989 0 .56 |
|
Sr1 0 .2989 0 .44 |
|
Nd3 0 0 .1962 .44 |
|
Sr2 0 0 .1962 .56 |
|
Sr3 0 .3231 .1772 |
|
Cu1 0 0 .5881 |
|
Cu2 0 .3521 .6010 |
|
O1 0 .1610 .4154 |
|
O2 0 .1352 .0979 |
|
O3 0 0 .6849 |
|
O4 0 .3495 .7013 |
|
O5 0 .3678 .5 |
|
O6 .3077 0 .5 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Ce0.9 Cu0.9 Fe1.1 Nd O7 |
| |
Michel C, Hervieu M, Raveau B |
|   |
Journal of Solid State Chemistry 92 (1991) 339-351 |
|
BaNdCe0.9Fe1+xCu1-xO7-d: an intergrowth of the BaYFeCuO5 type |
|
and CeO2 fluorite type structures |
|
_cod_database_code 1001482 |
|
_database_code_amcsd 0013716 |
|
3.9025 3.9025 20.8955 90 90 90 I4/mmm |
|
atom x y z occ |
|
Ba1 0 0 .5 |
|
Nd1 0 0 .3124 .5 |
|
Ce1 0 0 .3124 .45 |
|
Fe1 0 0 .0976 .55 |
|
Cu1 0 0 .0976 .45 |
|
O1 0 0 0 |
|
O2 0 .5 .1124 |
|
O3 0 .5 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba2 Ca Cu2 O8 Tl2 |
| |
Michel C, Martin C, Hervieu M, Maignan A, Provost J, Huve M, Raveau B |
|   |
Journal of Solid State Chemistry 96 (1992) 271-286 |
|
Thallium nonstoichiometry in 2212-thallium cuprate |
|
_cod_database_code 1001532 |
|
_database_code_amcsd 0013724 |
|
3.8565 3.8565 29.3122 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 .5 .5 .2134 .915 |
|
Ca1 .5 .5 .2134 .085 |
|
Ba1 0 0 .1216 |
|
Ca2 0 0 0 .83 |
|
Tl2 0 0 0 .17 |
|
Cu1 .5 .5 .0535 |
|
O1 0 .5 .0508 |
|
O2 .5 .5 .1428 |
|
O3 .5 .5 .2793 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba2 Ca Cu2 O8 Tl1.81 |
| |
Michel C, Martin C, Hervieu M, Maignan A, Provost J, Huve M, Raveau B |
|   |
Journal of Solid State Chemistry 96 (1992) 271-286 |
|
Thallium nonstoichiometry in 2212-thallium cuprate |
|
_cod_database_code 1001533 |
|
_database_code_amcsd 0013725 |
|
3.8489 3.8489 29.3153 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 .5 .5 .2132 .860 |
|
Ca1 .5 .5 .2132 .045 |
|
Ba1 0 0 .1213 |
|
Ca2 0 0 0 .91 |
|
Tl2 0 0 0 .09 |
|
Cu1 .5 .5 .0545 |
|
O1 0 .5 .0510 |
|
O2 .5 .5 .1461 |
|
O3 .5 .5 .2838 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba0.93 Cu3.01 O7 Pb0.99 Sr1.07 Y |
| |
Rouillon T, Caignaert V, Hervieu M, Michel C, Groult D, Raveau B |
|   |
Journal of Solid State Chemistry 97 (1992) 56-64 |
|
PbBaSrYCu3O7: a "0223" structure, intergrowth of single rock salt |
|
layers and triple oxygen-deficient perovskite layers; X-ray, neutron |
|
diffraction, and electron microscopy study |
|
_cod_database_code 1001594 |
|
_database_code_amcsd 0013730 |
|
3.8432 3.8432 27.422 90 90 90 I4mm |
|
atom x y z occ |
|
Cu1 0 0 0 |
|
Ba1 .5 .5 .0689 .66 |
|
Sr1 .5 .5 .0689 .34 |
|
Cu2 0 0 .1535 |
|
Pb1 .5 .5 .2143 .99 |
|
Cu3 .5 .5 .2143 .01 |
|
Ba2 0 0 .3109 .27 |
|
Sr2 0 0 .3109 .73 |
|
Cu4 .5 .5 .3797 |
|
Y1 0 0 .4398 |
|
O1 0 .5 -.0052 |
|
O2 0 0 .0932 |
|
O3 .143 0 .2153 .25 |
|
O4 .5 .5 .2924 |
|
O5 0 .5 .3922 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Cu3 O7.01 Pb Sr Y |
| |
Rouillon T, Caignaert V, Hervieu M, Michel C, Groult D, Raveau B |
|   |
Journal of Solid State Chemistry 97 (1992) 56-64 |
|
PbBaSrYCu3O7: a "0223" structure, intergrowth of single rock salt |
|
layers and triple oxygen-deficient perovskite layers; X-ray, neutron |
|
diffraction, and electron microscopy study |
|
_cod_database_code 1001595 |
|
_database_code_amcsd 0013731 |
|
3.8436 3.8436 27.42599 90 90 90 I4mm |
|
atom x y z occ |
|
Cu1 0 0 0 |
|
Ba1 .5 .5 .0704 .7 |
|
Sr1 .5 .5 .0704 .3 |
|
Cu2 0 0 .1533 |
|
Pb1 .5 .5 .2152 |
|
Ba2 0 0 .3119 .3 |
|
Sr2 0 0 .3119 .7 |
|
Cu3 .5 .5 .3789 |
|
Y1 0 0 .4395 |
|
O1 0 .5 -.0079 |
|
O2 0 0 .0874 |
|
O3 .1366 0 .2190 .25 |
|
O4 .5 .5 .2929 |
|
O5 0 .5 .3869 |
|
O6 .5 .5 .4395 .01 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fe2 O9 Pb0.78 Sr4 |
| |
Lucas S, Groult D, Nguyen N, Michel C, Hervieu M, Raveau B |
|   |
Journal of Solid State Chemistry 102 (1993) 20-30 |
|
Pb1-xSr4Fe2O9-d: a layered iron oxide intergrowth of 1201- and |
|
0201-type structures |
|
_cod_database_code 1001559 |
|
_database_code_amcsd 0013759 |
|
3.8349 3.8349 30.664 90 90 90 I4/mmm |
|
atom x y z occ |
|
Pb1 .060 0 0 .1962 |
|
Sr1 .5 .5 .0851 |
|
Sr2 .5 .5 .2054 |
|
Fe1 0 0 .1499 |
|
O1 0 0 .5 |
|
O2 .192 0 .0694 .25 |
|
O3 .5 0 .1441 |
|
O4 0 0 .2124 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ce Cu3 O10 Pb2 Pr Sr2 |
| |
Rouillon T, Hervieu M, Domenges B, Raveau B |
|   |
Journal of Solid State Chemistry 103 (1993) 63-74 |
|
Structural study of the oxide Pb2Sr2PrCeCu3O10, intergrowth of |
|
0201- and 0222-type structures |
|
_cod_database_code 1001527 |
|
_database_code_amcsd 0013764 |
|
5.4522 5.4807 37.012 90 90 90 Fmmm |
|
atom x y z occ |
|
Cu1 0 0 0 |
|
Pb1 .5 0 .0474 |
|
Sr1 0 0 .1186 |
|
Cu2 .5 0 .1666 |
|
Pr1 0 0 .2148 .5 |
|
Ce1 0 0 .2148 .5 |
|
O1 .045 .077 .0462 .25 |
|
O2 .5 0 .1054 |
|
O3 .25 .25 .1709 |
|
O4 .25 .25 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ce Cu3.01 O10.056 Pb2.02 Pr Sr2.02 |
| |
Rouillon T, Hervieu M, Domenges B, Raveau B |
|   |
Journal of Solid State Chemistry 103 (1993) 63-74 |
|
Structural study of the oxide Pb2Sr2PrCeCu3O10, intergrowth of |
|
0201- and 0222-type structures |
|
_cod_database_code 1001528 |
|
_database_code_amcsd 0013765 |
|
5.4512 5.4799 37.0107 90 90 90 Fmmm |
|
atom x y z occ |
|
Cu1 0 0 0 1.01 |
|
Pb1 .5 0 .0475 1.01 |
|
Sr1 0 0 .1184 1.01 |
|
Cu2 .5 0 .1665 |
|
Pr1 0 0 .2146 .50 |
|
Ce1 0 0 .2146 .50 |
|
O1 .25 .25 0 .02 |
|
O2 .0608 .0693 .0491 .252 |
|
O3 .5 0 .1050 |
|
O4 .25 .25 .1717 |
|
O5 .25 .25 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba4 Ca0.7 Cu5 O14 Y1.3 |
| |
Domenges B, Boullay P, Hervieu M, Raveau B |
|   |
Journal of Solid State Chemistry 108 (1994) 219-229 |
|
The substitution of CO3 groups for copper in Y1-xCaxBa2Cu3O7: HREM study |
|
_cod_database_code 1001615 |
|
_database_code_amcsd 0013793 |
|
7.7704 3.8876 22.98119 90 90 90 Bm2m |
|
atom x y z occ |
|
Y1 .25 .5 .75 .65 |
|
Ca1 .25 .5 .75 .35 |
|
Ba1 .2414 .5 .9066 |
|
C1 .5 0 0 |
|
Cu1 0 0 0 |
|
Cu2 .5 0 .8190 |
|
Cu3 0 0 .8190 |
|
O1 0 0 .915 |
|
O2 .44 0 .944 .5 |
|
O3 .25 0 .815 |
|
O4 0 .5 .811 |
|
O5 .5 .5 .811 |
|
O6 0 .5 0 |
|
O7 .67 0 0 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba0.5 Bi1.5 O2.75 |
| |
Michel, Pelloquin D, Hervieu M, Raveau B |
|   |
Journal of Solid State Chemistry 109 (1994) 122-126 |
|
The anionic superconductor Bi3BaO5.5: A bcc structure closely |
|
related to the perovskite. Relationships with anti alpha-AgI |
|
_cod_database_code 1001619 |
|
_database_code_amcsd 0013798 |
|
4.3822 4.3822 4.3822 90 90 90 Im3m |
|
atom x y z occ |
|
Bi1 0 0 0 .75 |
|
Ba1 0 0 0 .25 |
|
O1 .5 0 0 .4583 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba2.5 Bi1.5 Cu2 La O8.24 |
| |
Michel C, Pelloquin D, Hervieu M, Raveau B |
|   |
Journal of Solid State Chemistry 112 (1994) 362-366 |
|
Neutron diffraction study of the nonmodulated 2212-type cuprate |
|
Bi1.5Ba2.5LaCu2O8.25 |
|
_cod_database_code 1001612 |
|
_database_code_amcsd 0013831 |
|
3.9322 3.9322 31.23999 90 90 90 I4/mmm |
|
atom x y z occ |
|
Bi1 .5 .5 .2025 .75 |
|
Ba1 .5 .5 .2145 .25 |
|
Ba2 0 0 .1180 |
|
La1 0 0 0 |
|
Cu1 .5 .5 .0565 |
|
O1 .5 0 .0509 |
|
O2 .173 0 .2036 .231 |
|
O3 .5 .5 .1344 |
|
O4 .5 0 .278 .099 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba2 Cu2 Hg1.88 O10 Pr2 |
| |
Huve M, Martin C, Maignan A, Michel C, Van Tendeloo G, Hervieu M, Raveau B |
|   |
Journal of Solid State Chemistry 114 (1995) 230-235 |
|
A new cuprate with mercury bilayers: the "2222" oxide |
|
Hg2-xMxBa2Pr2Cu2O10-d (M=Cu,Pr) |
|
_cod_database_code 1001639 |
|
_database_code_amcsd 0013835 |
|
3.9072 3.9072 17.21919 90 90 90 *P4/nmm |
|
.25 -.25 0 |
|
atom x y z occ |
|
Hg1 .75 .75 .4377 .94 |
|
Cu1 .75 .75 .1743 |
|
Ba1 .25 .25 .2916 |
|
Pr1 .25 .25 .0762 |
|
O1 .25 .75 0 |
|
O2 .75 .25 .175 |
|
O3 .75 .75 .312 |
|
O4 .25 .25 .448 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba2 Cu2 Eu3 Mn2 O12 |
| |
Hervieu M, Michel C, Genouel R, Maignan A, Raveau B |
|   |
Journal of Solid State Chemistry 115 (1995) 1-6 |
|
The layered manganocuprate Eu3 Ba2 Mn2 Cu2 O12 : an intergrowth between |
|
the "123" and "0201" structures |
|
_cod_database_code 1001645 |
|
_database_code_amcsd 0013840 |
|
3.8826 3.8826 35.26599 90 90 90 I4/mmm |
|
atom x y z |
|
Eu1 0 0 .5 |
|
Eu2 0 0 .7127 |
|
Ba1 0 0 .6049 |
|
Cu1 0 0 .0470 |
|
Mn1 0 0 .1664 |
|
O1 .5 0 .0409 |
|
O2 0 0 .1144 |
|
O3 .5 0 .1732 |
|
O4 0 0 .220 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu6 Fe2 La4.4 O20 Sr3.6 |
| |
Genouel R, Michel C, Nguyen N, Hervieu M, Raveau B |
|   |
Journal of Solid State Chemistry 115 (1995) 469-475 |
|
Ordered substitution of iron for copper in the tetragonal perovskite |
|
La6.4 Sr1.6 Cu8 O20 |
|
_cod_database_code 1001647 |
|
_database_code_amcsd 0013851 |
|
10.7807 10.7807 3.8987 90 90 90 P4/mbm |
|
atom x y z occ |
|
La1 .2567 .4723 .5 .55 |
|
Sr1 .2567 .4723 .5 .45 |
|
Fe1 0 0 0 |
|
Cu2 .5 0 0 |
|
Cu3 .2244 .7244 0 |
|
O1 0 0 .5 |
|
O2 .5 0 .5 |
|
O3 .211 .711 .5 |
|
O4 .383 .883 0 |
|
O5 .153 .094 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu2 Hg0.3 O9 Pr2 Sr2 Tl0.7 |
| |
Hervieu M, Van Tendeloo G, Michel C, Martin C, Maignan A, Raveau B |
|   |
Journal of Solid State Chemistry 115 (1995) 525-531 |
|
Synthesis and characterization of mercury-based "1222" cuprates |
|
(Hg1-xMx) (Sr,Ba)2 Pr2 Cu2 O9-d |
|
_cod_database_code 1001650 |
|
_database_code_amcsd 0013858 |
|
3.8642 3.8642 29.56799 90 90 90 I4/mmm |
|
atom x y z occ |
|
Hg1 0 0 0 .3 |
|
Tl1 0 0 0 .7 |
|
Sr1 0 0 .5847 |
|
Pr1 0 0 .7055 |
|
Cu1 0 0 .1480 |
|
O1 0 0 .068 |
|
O2 0 .5 .1482 |
|
O3 0 .5 .25 |
|
O4 0 0 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
HgBiSr7Cu2SbO15 |
| |
Pelloquin D, Hervieu M, Michel C, Caldes M, Raveau B |
|   |
Journal of Solid State Chemistry 116 (1995) 53-60 |
|
Double cationic ordering in the "1201" substituted type cuprate |
|
HgBiSr7Cu2SbO15 |
|
_cod_database_code 1001654 |
|
_database_code_amcsd 0013860 |
|
7.6799 11.5549 8.8795 90 90 90 Pmam |
|
atom x y z occ |
|
Sr1 .25 .163 0 |
|
Bi1 .25 .5 0 .5 |
|
Hg1 .25 .5 0 .5 |
|
Bi2 .75 .170 0 .5 |
|
Hg2 .75 .170 0 .5 |
|
Sr2 0 0 .2903 |
|
Sr3 0 .343 .2903 |
|
Sb1 .25 .182 .5 |
|
Cu1 .25 .5 .5 |
|
Cu2 .75 .167 .5 |
|
O1 0 0 0 |
|
O2 0 .334 0 |
|
O3 .75 .164 .232 |
|
O4 .25 .105 .294 |
|
O5 .25 .5 .232 |
|
O6 .25 0 .5 |
|
O7 0 .167 .5 |
|
O8 0 .5 .5 |
|
O9 .25 .340 .5 |
|
O10 .75 .333 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ce0.5 Cu1.1 Hg0.4 La0.6 O5 Sr1.4 |
| |
Maignan A, Martin C, Michel C, Hervieu M, Raveau B |
|   |
Journal of Solid State Chemistry 116 (1995) 347-354 |
|
A new "1201" mercury-based cuprate with Hg Ce mixed layers: the oxide |
|
Hg0.4 Ce0.5 Cu0.1 Sr2-x Lax Cu O4+d |
|
_cod_database_code 1001652 |
|
_database_code_amcsd 0013864 |
|
3.7352 7.5749 17.9657 90 90 90 Ammm |
|
atom x y z occ |
|
Hg1 0 0 0 .8 |
|
Cu1 0 0 0 .2 |
|
Ce1 0 .5 0 |
|
La1 .5 .25 .1477 .3 |
|
Sr1 .5 .25 .1477 .7 |
|
Cu2 0 0 .25 |
|
O1 0 0 .1124 |
|
O2 0 0 .6124 |
|
O3 .5 0 .25 |
|
O4 0 .25 .25 |
|
O5 .5 .340 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Bi1.77 Ca0.2 Fe2 O10 Sr3.8 |
| |
Hervieu M, Pelloquin D, Michel C, Caldes M, Raveau B |
|   |
Journal of Solid State Chemistry 118 (1995) 227-240 |
|
The ferrites Bi(n+1) Sr2(n+2) Ba(n-1) Fe(n+1) O6(n+4): a series of |
|
intergrowths of the 2201 and 0201 structures |
|
_cod_database_code 1001693 |
|
_database_code_amcsd 0013872 |
|
5.414 5.414 18.52399 90 90 90 Cm2a |
|
atom x y z occ |
|
Bi1 .25 0 .4185 .885 |
|
Sr1 .25 .535 .2652 .900 |
|
Ca1 .25 .535 .2652 .100 |
|
Sr2 .25 .5 .0697 |
|
Fe1 .25 0 .1606 |
|
O1 .25 0 .060 |
|
O2 0 .25 .1615 |
|
O3 .25 0 .297 |
|
O4 .381 .631 .392 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Bi3 Fe3 O16 Sr6 |
| |
Hervieu M, Pelloquin D, Michel C, Caldes M, Raveau B |
|   |
Journal of Solid State Chemistry 118 (1995) 227-240 |
|
The ferrites Bi(n+1) Sr2(n+2) Ba(n-1) Fe(n+1) O6(n+4): a series of |
|
intergrowths of the 2201 and 0201 structures |
|
_cod_database_code 1001694 |
|
_database_code_amcsd 0013873 |
|
3.837 3.837 61.15999 90 90 90 I4/mmm |
|
atom x y z occ |
|
Bi1 0 0 .5746 .75 |
|
Ba1 0 0 .5746 .25 |
|
Bi2 0 0 .1219 .75 |
|
Ba2 0 0 .1219 .25 |
|
Sr1 0 0 .0305 |
|
Sr2 0 0 .6666 |
|
Sr3 0 0 .7271 |
|
Fe1 0 0 .5 |
|
Fe2 0 0 .1975 |
|
O1 0 .5 0 |
|
O2 0 0 .5374 |
|
O3 0 0 .0746 |
|
O4 0 0 .6219 |
|
O5 0 0 .1588 |
|
O6 0 .5 .1975 |
|
O7 0 0 .2311 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca0.2 Cr0.15 Cu2.85 O8 Pb1.75 Sr2 Y |
| |
Seshadri R, Maignan A, Hervieu M, Martin C, Raveau B, Rao C |
|   |
Journal of Solid State Chemistry 127 (1996) 64-71 |
|
Substitution of chromium for univalent copper in superconducting |
|
Pb2Sr2(Ca,Y)Cu3O8+d |
|
_cod_database_code 1001749 |
|
_database_code_amcsd 0013903 |
|
5.3860 5.4195 15.720 90 90 90 Cmmm |
|
atom x y z occ |
|
Pb1 0 .5 .3870 .875 |
|
Ca1 0 .5 .3870 .1 |
|
Sr1 0 0 .2208 |
|
Y1 0 0 0 |
|
Cu1 0 0 .5 .85 |
|
Cr1 0 0 .5 .15 |
|
Cu2 0 .5 .1084 |
|
O1 0 .5 .2625 |
|
O2 0 0 .385 |
|
O3 .25 .25 .1007 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca3.8 Cl3.84 Cu3 Gd2.2 O8.16 |
| |
Pelloquin D, Sundaresan A, Hervieu M, Michel C, Raveau B |
|   |
Journal of Solid State Chemistry 127 (1996) 315-324 |
|
New copper oxychlorides Ca4 Ln2 Cu3 O8 Cl4, first members of the |
|
intergrowth series (Ca2 Cu O2 Cl2)m (Ln2 Ca2 Cu2 O6 Cl2)n (Ln = Gd,Sm) |
|
_cod_database_code 1001747 |
|
_database_code_amcsd 0013912 |
|
3.8865 3.8865 41.827 90 90 90 I4/mmm |
|
atom x y z occ |
|
Ca1 0 0 .4611 .90 |
|
Gd1 0 0 .4611 .10 |
|
Ca2 0 0 .1428 |
|
Gd2 0 0 .2219 |
|
Cu1 0 0 0 |
|
Cu2 0 0 .3221 |
|
O1 0 .5 0 |
|
O2 0 .5 .319 |
|
O3 0 .5 .25 |
|
Cl1 0 0 .0644 |
|
Cl2 0 0 .3824 .92 |
|
O4 0 0 .3824 .08 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba3 Cu3 O19 Sr5 Tl5 |
| |
Letouze F, Martin C, Hervieu M, Michel C, Maignan A, Raveau B |
|   |
Journal of Solid State Chemistry 128 (1997) 150-155 |
|
A new structure related to the layered cuprates: the "1201" shear-like |
|
phase Tl5Ba3Sr5Cu3O19, third member of the series (TlA2CuO5)m . (Tl2A2O4) |
|
_cod_database_code 1001803 |
|
_database_code_amcsd 0013914 |
|
3.7536 30.631 9.219 90 90 90 A2mm |
|
atom x y z occ |
|
Tl1 0 0 .5 |
|
Tl2 0 .1128 .5 |
|
Tl3 0 .2397 .5 |
|
Ba1 .5 .0615 .2011 .275 |
|
Sr1 .5 .0615 .2011 .725 |
|
Ba2 .5 .1844 .2152 .475 |
|
Sr2 .5 .1844 .2152 .525 |
|
Cu1 0 0 0 |
|
Cu2 0 .1212 0 |
|
O1 .5 0 0 |
|
O2 .5 .1212 0 |
|
O3 0 0 .263 |
|
O4 0 .1212 .263 |
|
O5 0 .0606 0 |
|
O6 .5 .056 .5 |
|
O7 .5 .176 .5 |
|
O8 0 .25 .25 |
|
O9 0 .186 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba6Mn24O48 |
| |
Boullay P, Hervieu M, Raveau B |
|   |
Journal of Solid State Chemistry 132 (1997) 239-248 |
|
A new manganite with an original composite tunnel structure: Ba6Mn24O48 |
|
_cod_database_code 1001810 |
|
_database_code_amcsd 0013934 |
|
18.17299 18.17299 2.836 90 90 90 I4/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 0 0 .5 .71 .01 .01 .25 0 0 0 |
|
Ba2 .316 .170 .5 .61 .03 .03 .29 -.07 0 0 |
|
Mn1 .215 -.005 0 |
|
Mn2 .370 -.006 .5 |
|
Mn3 .373 .347 0 |
|
O1 .313 .040 0 |
|
O2 .115 .934 0 |
|
O3 .588 .062 0 |
|
O4 .193 .183 0 |
|
O5 .440 .244 0 |
|
O6 .561 .319 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Bi1.5 Ca1.47 Mn2 O9 Pb0.5 Sr1.53 |
| |
Hervieu M, Michel C, Pelloquin D, Maignan A, Raveau B |
|   |
Journal of Solid State Chemistry 132 (1997) 420-431 |
|
A bismuth manganite with the "2212" structure: Bi2-xPbxSr1.5Ca1.5Mn2O9-d |
|
_cod_database_code 1001814 |
|
_database_code_amcsd 0013939 |
|
5.3594 5.3443 30.976 90 90 90 Abmm |
|
atom x y z occ |
|
Bi1 .761 0 .0493 .75 |
|
Pb1 .761 0 .0493 .25 |
|
Sr1 .75 .5 .1296 .35 |
|
Ca1 .75 .5 .1296 .65 |
|
Sr2 .75 .5 .25 .83 |
|
Ca2 .75 .5 .25 .17 |
|
Mn1 .761 0 .1873 |
|
O1 .871 .5 .0493 |
|
O2 .75 0 .119 |
|
O3 .5 .25 .1803 |
|
O4 0 .25 .1803 |
|
O5 .75 0 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
B0.8 Mn3.2 O10 Sr4 |
| |
Pelloquin D, Hervieu M, Michel C, Nguyen N, Raveau B |
|   |
Journal of Solid State Chemistry 134 (1997) 395-408 |
|
A new manganese oxyborate, Sr4 Mn3 (B1-x Mnx) O10, closely related to |
|
the perovskite structure type |
|
_cod_database_code 1001822 |
|
_database_code_amcsd 0013946 |
|
3.7865 15.8540 7.6540 90 90 90 Amm2 |
|
atom x y z occ |
|
Mn1 0 0 .0078 |
|
Mn2 0 .25 0 |
|
B1 0 0 .5 .8 |
|
Mn3 0 0 .5 .2 |
|
Sr1 .5 .3665 .2538 |
|
Sr2 .5 .1263 .2284 |
|
O1 .5 0 0 |
|
O2 0 .1211 0 |
|
O3 .5 .2669 0 |
|
O4 0 .25 .25 |
|
O5 0 0 .3159 |
|
O6 0 .4243 -.0882 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Nb27.2 O72 Tl8 |
| |
Dupont L, Hervieu M, Pelloquin D, Nowogrocki G, Touboul M |
|   |
Journal of Solid State Chemistry 135 (1998) 282-292 |
|
Synthesis and crystal structure determination of Tl8 Nb27.2 O72 using |
|
TEM and single-crystal x-ray diffraction |
|
_cod_database_code 1004150 |
|
_database_code_amcsd 0013947 |
|
7.534 12.992 15.555 90 90 90 Im2m |
|
atom x y z occ |
|
Nb1 0 .5 .1221 |
|
Nb2 0 .4920 .3720 |
|
Nb3 .2538 .2408 .1288 |
|
Nb4 .2395 .7375 .1219 |
|
Nb5 0 .654 .5 .475 |
|
Nb6 0 .3285 0 .625 |
|
Nb7 0 .3254 .5 .5 |
|
O1 0 .768 .104 |
|
O2 0 .448 .246 |
|
O3 .187 .596 .141 |
|
O4 0 .503 0 |
|
O5 0 .771 .395 |
|
O6 .5 .010 0 |
|
O7 .202 .205 0 |
|
O8 0 .205 .148 |
|
O9 0 .204 .354 |
|
O10 .180 .381 .106 |
|
O11 .180 .381 .607 |
|
O12 .184 .595 .640 |
|
O13 .297 .705 0 |
|
O14 .215 .764 .252 |
|
Tl1 .074 -.007 .010 .06 |
|
Tl2 .029 -.040 .010 .08 |
|
Tl3 .028 .0302 .009 .11 |
|
Tl4 .067 -.013 .514 .06 |
|
Tl5 .024 -.0412 .508 .14 |
|
Tl6 .037 .026 .515 .05 |
|
Tl7 .034 -.036 .227 .05 |
|
Tl8 .020 -.018 .266 .09 |
|
Tl9 -.037 .0110 .2516 .36 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ge4 K10 Nb22 O68 |
| |
Choisnet J, Hervieu M, Groult D, Raveau B |
|   |
Materials Research Bulletin 12 (1977) 621-627 |
|
Nouvelles phases multiples obtenues par intercroissance des reseaux |
|
"M6X4O26" et "M8O21": les oxydes K10(M8O21)2*M6X4O26 (M=Nb,Ta)(X=Ge,Si) |
|
_cod_database_code 1001276 |
|
_database_code_amcsd 0014256 |
|
9.112 9.112 20.01 90 90 120 P-62m |
|
atom x y z occ |
|
K1 .344 0 0 .833 |
|
K2 .598 0 .297 .833 |
|
K3 .547 0 .5 .833 |
|
Nb1 .744 0 .090 |
|
Nb2 .251 0 .215 |
|
Nb3 .234 0 .403 |
|
Nb4 1/3 2/3 .149 |
|
Ge1 1/3 2/3 .410 |
|
O1 .79 0 0 |
|
O2 .179 0 .106 |
|
O3 .822 .509 .092 |
|
O4 .182 .502 .209 |
|
O5 .795 0 .193 |
|
O6 .202 0 .310 |
|
O7 .206 .483 .367 |
|
O8 .252 0 .5 |
|
O9 .799 0 .412 |
|
O10 1/3 2/3 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba0.45 Na1.7 O13 Ti5.85 |
| |
Hervieu M, Germain P, Desgardin G, Raveau B |
|   |
Materials Research Bulletin 14 (1979) 267-272 |
|
Non-stoichiometric titanates (A2-2x)(Ba3x)(Ti6-x)O13 with a |
|
tunnel structure |
|
_cod_database_code 1001285 |
|
_database_code_amcsd 0014270 |
|
15.183 3.783 9.143 90 98.7 90 C2/m |
|
atom x y z occ |
|
Na1 .453 .058 .242 .015 |
|
Ba1 .453 .058 .242 .008 |
|
Na2 .558 0 .483 .82 |
|
Ba2 .558 0 .483 .21 |
|
Ti1 .119 0 .097 .975 |
|
Ti2 .17 0 .439 .975 |
|
Ti3 .228 0 .771 .975 |
|
O1 0 0 0 |
|
O2 .238 0 .251 |
|
O3 .076 0 .266 |
|
O4 .292 0 .571 |
|
O5 .13 0 .604 |
|
O6 .361 0 .898 |
|
O7 .17 0 .919 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.