|
K3Nb3B2O12 |
| |
Choisnet J, Groult D, Raveau B, Gasperin M |
 |
Acta Crystallographica B33 (1977) 1841-1845 |
|
Nouvelles structures a tunnels de section pentagonale |
|
K3Nb3B2O12 et K3Ta3B2O12 |
|
_cod_database_code 1001007 |
|
_database_code_amcsd 0009592 |
|
8.753 8.753 3.966 90 90 120 P31m |
|
atom x y z |
|
K1 .5964 0 .4989 |
|
Nb1 .2463 0 0 |
|
O1 .8179 0 -.0076 |
|
O2 .2606 0 .4930 |
|
O3 .5030 .1854 -.0169 |
|
B1 1/3 2/3 -.0188 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K3Nb3B2O12 |
| |
Choisnet J, Groult D, Raveau B, Gasperin M |
 |
Acta Crystallographica B33 (1977) 1841-1845 |
|
Nouvelles structures a tunnels de section pentagonale |
|
K3Nb3B2O12 et K3Ta3B2O12 |
|
_cod_database_code 1001008 |
|
_database_code_amcsd 0009593 |
|
34.01 34.01 3.966 90 90 120 P31m |
|
atom x y z |
|
K1 .1489 0 .4596 |
|
K2 .3983 0 .4585 |
|
K3 .6490 0 .4493 |
|
K4 .8996 0 .4687 |
|
K5 .1482 .2480 .4583 |
|
K6 .1492 .5 .4641 |
|
K7 .1502 .7523 .4543 |
|
K8 .1013 .3500 .4523 |
|
K9 .1003 .6009 .4583 |
|
K10 .3523 .6007 .4723 |
|
Nb1 .0617 0 0 |
|
Nb2 .3110 0 -.0738 |
|
Nb3 .5612 0 -.0664 |
|
Nb4 .8126 0 -.0140 |
|
Nb5 .0609 .2498 -.0648 |
|
Nb6 .0611 .4990 -.0277 |
|
Nb7 .0622 .7508 -.0733 |
|
Nb8 .1873 .4381 -.0676 |
|
Nb9 .1888 .6883 -.0204 |
|
Nb10 .4389 .6888 .0071 |
|
O1 .2053 0 -.0004 |
|
O2 .4537 0 -.0409 |
|
O3 .7067 0 -.0904 |
|
O4 .9546 0 -.0630 |
|
O5 .2032 .2468 .0021 |
|
O6 .2056 .4999 -.0313 |
|
O7 .2039 .7501 -.0425 |
|
O8 .0457 .2935 -.0372 |
|
O9 .0461 .5471 -.0489 |
|
O10 .2961 .5458 -.0668 |
|
O11 .0606 0 .4316 |
|
O12 .3100 0 .4544 |
|
O13 .5673 0 .4816 |
|
O14 .8166 0 .4672 |
|
O15 .0610 .2439 .4667 |
|
O16 .0644 .4970 .4528 |
|
O17 .0644 .7541 .4809 |
|
O18 .1848 .4305 .4519 |
|
O19 .1839 .6827 .4512 |
|
O20 .4341 .6811 .4512 |
|
O21 .1255 .0465 -.0867 |
|
O22 .1255 .2960 -.0151 |
|
O23 .1251 .5465 -.0364 |
|
O24 .1256 .7934 -.0691 |
|
O25 .3771 .0489 -.0044 |
|
O26 .3771 .2968 .0015 |
|
O27 .3751 .5475 -.0540 |
|
O28 .376 .7952 -.0674 |
|
O29 .6277 .0473 -.0204 |
|
O30 .6254 .2963 -.0015 |
|
O31 .6244 .5461 -.0191 |
|
O32 .6262 .7974 -.0847 |
|
O33 .8771 .0470 -.0385 |
|
O34 .8763 .2959 -.0374 |
|
O35 .8750 .5466 -.0568 |
|
O36 .2015 .0784 -.0725 |
|
B1 1/3 2/3 -.0142 |
|
B2 .0831 .1673 -.0496 |
|
B3 .0821 .4166 -.0269 |
|
B4 .1678 .3359 -.0386 |
|
B5 .1674 .5845 -.0540 |
|
B6 .0822 .6654 -.0115 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
P4W24O80 |
| |
Roussel P, Mather G, Domenges B, Groult D, Labbe P |
 |
Acta Crystallographica B54 (1998) 365-375 |
|
Structural investigation of P4W24O80: A new monophosphate tungsten bronze |
|
_cod_database_code 1001821 |
|
_database_code_amcsd 0009905 |
|
5.312 6.5557 42.196 90 90 90 P2_12_12_1 |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
W1 .2431 .4272 .69885 .0084 .0081 .005773 .0055 -.0043 -.00256 |
|
W2 .251 .0996 .62523 .0092 .0075 .007036 .0045 -.0056 -.00156 |
|
W3 .2526 .7578 .55324 .0110 .0099 .008389 -.002 .0042 -.00233 |
|
W4 .2622 .4137 .48215 .0051 .0115 .008840 .0011 -.00503 -.00196 |
|
W5 .7626 .4299 .58941 .0099 .0088 .007397 -.0026 .00597 -.00101 |
|
W6 .7592 .7693 .66258 .0093 .0066 .006494 -.0027 .0019 -.00130 |
|
P1 .762 .1144 .7243 |
|
O1 .73 .058 .7590 |
|
O2 .547 .263 .7170 |
|
O3 .025 .211 .7193 |
|
O4 -.022 .566 .6888 |
|
O5 .477 .609 .6837 |
|
O6 .26 .258 .6649 |
|
O7 .537 .946 .6466 |
|
O8 .038 .902 .6487 |
|
O9 .469 .269 .6064 |
|
O10 -.036 .244 .6166 |
|
O11 .269 -.066 .5920 |
|
O12 .547 .626 .5735 |
|
O13 .043 .564 .5744 |
|
O14 .475 .935 .5321 |
|
O15 -.037 .898 .5412 |
|
O16 .233 .591 .5181 |
|
O17 .542 .281 .4988 |
|
O18 .772 .256 .5556 |
|
O19 .778 .582 .6302 |
|
O20 .726 -.086 .7044 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Na1.5 O32 P4 W8 |
| |
Benmmoussa A, Groult D, Labbe P, Raveau B |
 |
Acta Crystallographica C40 (1984) 573-576 |
|
Two New Members of a Series of Monoclinic Sodium Phosphate Tungsten |
|
Bronzes Nax P4 O8 (W O3)2m: Nax P4 W8 O32 (m=4) and |
|
Nax P4 W12 O44 (m=6) |
|
_cod_database_code 1001271 |
|
_database_code_amcsd 0009990 |
|
17.788 5.277 6.607 90 99.64 90 P2_1/a |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
W1 .20591 .26064 .14025 .00490 .00446 .00419 .00002 -.00010 .00008 |
|
W2 .37481 .25849 .56011 .00476 .00383 .00422 .00011 .00011 -.00019 |
|
P1 .0634 .2740 .7142 |
|
O1 .1105 .245 .9308 |
|
O2 .0846 .067 .5751 |
|
O3 .4266 .0416 .3689 |
|
O4 .4794 .2684 .7410 |
|
O5 .1505 .4829 .3021 |
|
O6 .1619 -.0241 .2642 |
|
O7 .2893 .2618 .3620 |
|
O8 .2572 .0384 .9850 |
|
Na1 .008 .225 .139 .375 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Na1.7 O44 P4 W12 |
| |
Benmmoussa A, Groult D, Labbe P, Raveau B |
 |
Acta Crystallographica C40 (1984) 573-576 |
|
Two New Members of a Series of Monoclinic Sodium Phosphate Tungsten |
|
Bronzes Nax P4 O8 (W O3)2m: Nax P4 W8 O32 (m=4) and |
|
Nax P4 W12 O44 (m=6) |
|
_cod_database_code 1001272 |
|
_database_code_amcsd 0009991 |
|
23.775 5.291 6.588 90 93.47 90 P2_1/a |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
W1 .27960 .24069 .67190 .00403 .00356 .00407 .00015 .00013 -.00040 |
|
W2 .40705 .24121 .35909 .00349 .00354 .00300 -.00005 -.00007 -.00007 |
|
W3 .15480 .23644 .99311 .00360 .00334 .00335 -.00008 .00042 -.00012 |
|
P1 .04687 .2256 .3261 |
|
O1 .2541 .5255 .530 |
|
O2 .3468 .2308 .510 |
|
O3 .3221 .4535 .866 |
|
O4 .3116 .9548 .823 |
|
O5 .0819 .259 .140 |
|
O6 .4464 .4588 .589 |
|
O7 .4393 -.0667 .514 |
|
O8 .2151 .2395 .828 |
|
O9 .1103 .0219 .789 |
|
O10 .1190 .5226 .836 |
|
O11 .4852 .2318 .248 |
|
Na1 .5086 .215 .862 .425 |
|
|
| 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
|
|   |
|
AgTaWO6(H2O) |
| |
Groult D, Michel C, Raveau B |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 274 (1972) 374-377 |
|
Sur deux pyrochlores inedits: AgTaWO6(H2O) et AgNbWO6(H2O) |
|
_cod_database_code 1001147 |
|
_database_code_amcsd 0012292 |
|
10.402 10.402 10.402 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ag1 0 0 0 .5 |
|
Ta1 .5 .5 .5 .5 |
|
W1 .5 .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
|
|   |
|
AgNbWO6(H2O) |
| |
Groult D, Michel C, Raveau B |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 274 (1972) 374-377 |
|
Sur deux pyrochlores inedits: AgTaWO6(H2O) et AgNbWO6(H2O) |
|
_cod_database_code 1001148 |
|
_database_code_amcsd 0012293 |
|
10.416 10.416 10.416 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ag1 0 0 0 .5 |
|
Nb1 .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
|
|   |
|
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
|
|   |
|
Fe2 O9 Sr4 Tl0.965 |
| |
Daniel P, Barbey L, Groult D, Nguyen N, Van Tendeloo G, Raveau B |
|   |
European Journal of Solid State and Inorganic Chemistry 31 (1994) 235-244 |
|
Mixed valent iron oxides with the 0201-1201 intergrowth structure: |
|
(Pb1-x Tlx) Sr4 Fe2 O9 (0 |
|
_cod_database_code 1001629 |
|
_database_code_amcsd 0012587 |
|
3.8048 3.8048 30.46799 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 .083 0 0 .2412 |
|
Sr1 .5 .5 .0829 |
|
Sr2 .5 .5 .2049 |
|
Fe1 0 0 .1490 |
|
O1 .137 0 .5 .25 |
|
O2 0 0 .0684 |
|
O3 .5 0 .1431 |
|
O4 0 0 .2144 |
|
|
| 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 Sb W |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 35 (1973) 3095-3101 |
|
Sur de Nouveaux Pyrochlores ASbWO6 (A = (H3O), (NH4) et |
|
AgSbWO6(H2O) |
|
_cod_database_code 1001062 |
|
_database_code_amcsd 0013030 |
|
10.278 10.278 10.278 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Sb1 0 0 0 .5 |
|
W1 0 0 0 .5 |
|
O1 .375 .375 .375 |
|
O2 .327 .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 Sb W |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 35 (1973) 3095-3101 |
|
Sur de Nouveaux Pyrochlores ASbWO6 (A = (H3O), (NH4) et |
|
AgSbWO6(H2O) |
|
_cod_database_code 1001063 |
|
_database_code_amcsd 0013031 |
|
10.252 10.252 10.252 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
N1 .375 .375 .375 |
|
Sb1 0 0 0 .5 |
|
W1 0 0 0 .5 |
|
O1 .325 .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
|
|   |
|
Ag H2 O7 Sb W |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 35 (1973) 3095-3101 |
|
Sur de Nouveaux Pyrochlores ASbWO6 (A = (H3O), (NH4) et |
|
AgSbWO6(H2O) |
|
_cod_database_code 1001064 |
|
_database_code_amcsd 0013032 |
|
10.303 10.303 10.303 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ag1 .5 .5 .5 .5 |
|
Sb1 0 0 0 .5 |
|
W1 0 0 0 .5 |
|
O1 .314 .125 .125 |
|
O2 .375 .375 .375 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H1.1 Nb O6.05 W |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 36 (1974) 61-66 |
|
Sur l'evolution thermique des pyrochlores d'hydroxonium et d'ammonium |
|
H3 O M W O6, H4 O M2 O6 et N H4 M W O6 (M=Nb, Ta) |
|
_cod_database_code 1001035 |
|
_database_code_amcsd 0013033 |
|
10.355 10.355 10.355 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Nb1 0 0 0 .5 |
|
W1 0 0 0 .5 |
|
O1 .324 .125 .125 .92 |
|
O2 .375 .375 .375 .55 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H1.5 O6.25 Ta W |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 36 (1974) 61-66 |
|
Sur l'evolution thermique des pyrochlores d'hydroxonium et d'ammonium |
|
H3 O M W O6, H4 O M2 O6 et N H4 M W O6 (M = Nb, Ta) |
|
_cod_database_code 1001199 |
|
_database_code_amcsd 0013034 |
|
10.319 10.319 10.319 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 0 0 0 .5 |
|
W1 0 0 0 .5 |
|
O1 .324 .125 .125 .92 |
|
O2 .375 .375 .375 .75 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H2 Li Nb O7 W |
| |
Michel C, Groult D, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 247-250 |
|
Proprietes d'echange d'ions des pyrochlores A B2 O6 - I |
|
_cod_database_code 1001033 |
|
_database_code_amcsd 0013035 |
|
10.397 10.397 10.397 90 90 90 Fd3m |
|
atom x y z occ |
|
Li1 .625 .625 .625 .5 |
|
Nb1 .125 .125 .125 .5 |
|
W1 .125 .125 .125 .5 |
|
O1 .318 0 0 |
|
O2 .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
|
|   |
|
Plumbopyrochlore |
 |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
Locality: synthetic |
|
_database_code_amcsd 0013036 |
|
10.578 10.578 10.578 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Pb .5 .5 .5 .5 .7 |
|
Nb 0 0 0 1.3 |
|
O .311 .125 .125 .6 |
|
Wat .5 .5 .5 .5 1 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Plumbomicrolite |
 |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d段ons bivalents synthetises par |
|
echanges d段ons |
|
Locality: synthetic |
|
_database_code_amcsd 0013037 |
|
10.560 10.560 10.560 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Pb .5 .5 .5 .5 .5 |
|
Ta 0 0 0 1.1 |
|
O .329 .125 .125 1.2 |
|
Wat .5 .5 .5 .5 1 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
CdNb2O6*H2O |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d段ons bivalents synthetises par |
|
echanges d段ons |
|
Locality: synthetic |
|
_database_code_amcsd 0013038 |
|
10.443 10.443 10.443 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Cd .5 .5 .5 .5 .7 |
|
Nb 0 0 0 1.3 |
|
O .321 .125 .125 .3 |
|
Wat .5 .5 .5 .5 1 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
CdTa2O6*H2O |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d段ons bivalents synthetises par |
|
echanges d段ons |
|
Locality: synthetic |
|
_database_code_amcsd 0013039 |
|
10.433 10.433 10.433 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Cd .5 .5 .5 .5 .3 |
|
Ta 0 0 0 .9 |
|
O .343 .125 .125 1.4 |
|
Wat .5 .5 .5 .5 1 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca0.40H1.20Nb2O6*H2O |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d段ons bivalents synthetises par |
|
echanges d段ons |
|
Locality: synthetic |
|
_database_code_amcsd 0013040 |
|
10.512 10.512 10.512 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ca .5 .5 .5 .2 .1 |
|
H .5 .5 .5 .6 .1 |
|
Nb 0 0 0 1.0 |
|
O .315 .125 .125 2.4 |
|
Wat .5 .5 .5 .5 3.0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca0.50HTa2O6*H2O |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d段ons bivalents synthetises par |
|
echanges d段ons |
|
Locality: synthetic |
|
_database_code_amcsd 0013041 |
|
10.478 10.478 10.478 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ca .5 .5 .5 .25 .0 |
|
H .5 .5 .5 .5 .0 |
|
Ta 0 0 0 1.0 |
|
O .316 .125 .125 .8 |
|
Wat .5 .5 .5 .5 1.6 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Sr0.40H1.20Nb2O6*H2O |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d段ons bivalents synthetises par |
|
echanges d段ons |
|
Locality: synthetic |
|
_database_code_amcsd 0013042 |
|
10.560 10.560 10.560 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Sr .5 .5 .5 .2 1.1 |
|
H .5 .5 .5 .6 1.1 |
|
Nb 0 0 0 1.0 |
|
O .313 .125 .125 .6 |
|
Wat .5 .5 .5 .5 3.4 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Sr0.25H1.50Ta2O6*H2O |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d段ons bivalents synthetises par |
|
echanges d段ons |
|
Locality: synthetic |
|
_database_code_amcsd 0013043 |
|
10.554 10.554 10.554 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Sr .5 .5 .5 .125 .0 |
|
H .5 .5 .5 .75 .0 |
|
Ta 0 0 0 1.1 |
|
O .320 .125 .125 2.2 |
|
Wat .5 .5 .5 .5 3.2 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba0.50HNb2O6*H2O |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d段ons bivalents synthetises par |
|
echanges d段ons |
|
Locality: synthetic |
|
_database_code_amcsd 0013044 |
|
10.607 10.607 10.607 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ba .5 .5 .5 .25 1.4 |
|
H .5 .5 .5 .5 1.4 |
|
Nb 0 0 0 1.0 |
|
O .307 .125 .125 2.2 |
|
Wat .5 .5 .5 .5 2.3 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba0.40H1.20Ta2O6*H2O |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d段ons bivalents synthetises par |
|
echanges d段ons |
|
Locality: synthetic |
|
_database_code_amcsd 0013045 |
|
10.589 10.589 10.589 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ba .5 .5 .5 .2 1.4 |
|
H .5 .5 .5 .6 1.4 |
|
Ta 0 0 0 .9 |
|
O .313 .125 .125 1.5 |
|
Wat .5 .5 .5 .5 2.0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Pyrochlore |
 |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
_cod_database_code 1001264 |
|
_database_code_amcsd 0013046 |
|
10.512 10.512 10.512 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Nb1 0 0 0 |
|
Ca1 .5 .5 .5 .2 |
|
O1 .375 .375 .375 |
|
O2 .315 .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
|
|   |
|
H3.2 Nb2 O7 Sr0.4 |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
_cod_database_code 1001265 |
|
_database_code_amcsd 0013047 |
|
10.560 10.560 10.560 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Nb1 0 0 0 |
|
Sr1 .5 .5 .5 .2 |
|
O1 .375 .375 .375 |
|
O2 .313 .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
|
|   |
|
Microlite |
 |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
_cod_database_code 1001267 |
|
_database_code_amcsd 0013048 |
|
10.478 10.478 10.478 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 0 0 0 |
|
Ca1 .5 .5 .5 .25 |
|
O1 .375 .375 .375 |
|
O2 .316 .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
|
|   |
|
H3.5 O7 Sr0.25 Ta2 |
| |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
_cod_database_code 1001268 |
|
_database_code_amcsd 0013049 |
|
10.554 10.554 10.554 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 0 0 0 |
|
Sr1 .5 .5 .5 .125 |
|
O1 .375 .375 .375 |
|
O2 .320 .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
|
|   |
|
Bariomicrolite |
 |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
_cod_database_code 1001723 |
|
_database_code_amcsd 0013050 |
|
10.589 10.589 10.589 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 0 0 0 |
|
Ba1 .5 .5 .5 .2 |
|
O1 .375 .375 .375 |
|
O2 .313 .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
|
|   |
|
Bariopyrochlore |
 |
Groult D, Michel C, Raveau B |
|   |
Journal of Inorganic and Nuclear Chemistry 37 (1975) 2203-2205 |
|
Sur de nouveaux pyrochlores lacunaires d'ions bivalents synthetises par |
|
echanges d'ions |
|
_cod_database_code 1001817 |
|
_database_code_amcsd 0013051 |
|
10.607 10.607 10.607 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Nb1 0 0 0 |
|
Ba1 .5 .5 .5 .25 |
|
O1 .375 .375 .375 |
|
O2 .307 .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
|
|   |
|
Fe2 O8 Sr3 Tl0.95 |
| |
Daniel P, Barbey L, Nguyen N, Ducouret A, Groult D, Raveau B |
|   |
Journal of Physics and Chemistry of Solids 55 (1994) 795-802 |
|
New mixed-valent iron oxides with the 1212-type structure: Tl1-xPbxSr3Fe2O8 |
|
_cod_database_code 1001672 |
|
_database_code_amcsd 0013242 |
|
3.811 3.811 12.780 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .064 0 0 .2375 |
|
Sr1 .5 .5 .5 |
|
Sr2 .5 .5 .1948 |
|
Fe1 0 0 .3453 |
|
O1 .362 .5 0 .25 |
|
O2 0 0 .173 |
|
O3 0 0 .5 |
|
O4 0 .5 .3364 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fe2 O8 Pb0.485 Sr3 Tl0.485 |
| |
Daniel P, Barbey L, Nguyen N, Ducouret A, Groult D, Raveau B |
|   |
Journal of Physics and Chemistry of Solids 55 (1994) 795-802 |
|
New mixed-valent iron oxides with the 1212-type structure: Tl1-xPbxSr3Fe2O8 |
|
_cod_database_code 1001673 |
|
_database_code_amcsd 0013243 |
|
3.8180 3.8180 12.834 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .064 0 0 .1213 |
|
Pb1 .064 0 0 .1213 |
|
Sr1 .5 .5 .5 |
|
Sr2 .5 .5 .1989 |
|
Fe1 0 0 .3516 |
|
O1 .389 .5 0 .25 |
|
O2 0 0 .1679 |
|
O3 0 0 .5 |
|
O4 0 .5 .3342 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Bi2 Fe2 O11 Sr2.591 |
| |
Perez O, Leligny H, Grebille D, Labbe P, Groult D, Raveau B |
|   |
Journal of Physics: Condensed Matter 7 (1995) 10003-10014 |
|
X-ray investigation of the incommensurate modulated structure of |
|
Bi2+xSr3-xFe2O9+d |
|
_cod_database_code 1001709 |
|
_database_code_amcsd 0013280 |
|
5.488 5.475 31.50899 90 90 90 Fmmm |
|
atom x y z occ |
|
Bi1 .0221 0 .2028 .5 |
|
Sr1 .5 0 .1176 .7955 |
|
Sr2 .5 0 0 |
|
Fe1 0 0 .0607 |
|
O1 .25 .25 .0668 |
|
O2 0 0 .1389 |
|
O3 0 0 0 |
|
O4 .6917 0 .1973 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K3 Nb8 O21 |
| |
Groult D, Chailleux J, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 19 (1976) 235-244 |
|
Sur une nouvelle famille d'oxydes ternaires de niobium, A3 M8 O21 |
|
a structure en cages |
|
_cod_database_code 1001027 |
|
_database_code_amcsd 0013335 |
|
9.153 9.153 12.066 90 90 120 P6_3/mcm |
|
atom x y z |
|
K1 .598 0 .25 |
|
Nb1 .248 0 .099 |
|
Nb2 1/3 2/3 0 |
|
O1 .226 0 .25 |
|
O2 .792 0 .083 |
|
O3 .177 .494 .102 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K3 Nb7 O21 Ti |
| |
Groult D, Chailleux J, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 19 (1976) 235-244 |
|
Sur une nouvelle famille d'oxydes ternaires de niobium, A3 M8 O21 |
|
a structure en cages |
|
_cod_database_code 1001028 |
|
_database_code_amcsd 0013336 |
|
9.107 9.107 12.011 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
K1 .590 0 .25 |
|
Nb1 .248 0 .096 .875 |
|
Ti1 .248 0 .096 .125 |
|
Nb2 1/3 2/3 0 .875 |
|
Ti2 1/3 2/3 0 .125 |
|
O1 .226 0 .25 |
|
O2 .794 0 .085 |
|
O3 .171 .495 .093 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba3 Nb4 O21 Ti4 |
| |
Groult D, Chailleux J, Choisnet J, Raveau B |
|   |
Journal of Solid State Chemistry 19 (1976) 235-244 |
|
Sur une nouvelle famille d'oxydes ternaires de niobium, A3 M8 O21 |
|
a structure en cages |
|
_cod_database_code 1001029 |
|
_database_code_amcsd 0013337 |
|
9.040 9.040 11.767 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
Ba1 .596 0 .25 |
|
Nb1 .244 0 .093 .5 |
|
Ti1 .244 0 .093 .5 |
|
Nb2 1/3 2/3 0 .5 |
|
Ti2 1/3 2/3 0 .5 |
|
O1 .238 0 .25 |
|
O2 .795 0 .086 |
|
O3 .173 .507 .107 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Nb6 O18 Rb2 Ti |
| |
Desgardin G, Robert C, Groult D, Raveau B |
|   |
Journal of Solid State Chemistry 22 (1977) 101-111 |
|
Une nouvelle famille structurale: les titanoniobates et |
|
titanotantalates A2 Nb6 Ti O18 et A2 Ta6 Ti O18 |
|
_cod_database_code 1001013 |
|
_database_code_amcsd 0013347 |
|
7.529 7.529 8.194 90 90 120 P-3m1 |
|
atom x y z occ |
|
Rb1 1/3 2/3 .665 |
|
Nb1 0 0 .5 .857 |
|
Ti1 0 0 .5 .143 |
|
Nb2 .1696 -.1696 .1468 .857 |
|
Ti2 .1696 -.1696 .1468 .143 |
|
O1 .447 -.447 .155 |
|
O2 .854 -.854 .128 |
|
O3 .124 -.124 .358 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
O18 Rb2 Ta6 Ti |
| |
Desgardin G, Robert C, Groult D, Raveau B |
|   |
Journal of Solid State Chemistry 22 (1977) 101-111 |
|
Une nouvelle famille structurale: les titanoniobates et |
|
titanotantalates A2 Nb6 Ti O18 et A2 Ta6 Ti |
|
O18 |
|
_cod_database_code 1001014 |
|
_database_code_amcsd 0013348 |
|
7.512 7.512 8.231 90 90 120 P-3m1 |
|
atom x y z occ |
|
Rb1 1/3 2/3 .650 |
|
Ta1 0 0 .5 .857 |
|
Ti1 0 0 .5 .143 |
|
Ta2 .1702 -.1702 .1481 .857 |
|
Ti2 .1702 -.1702 .1481 .143 |
|
O1 .447 -.447 1/6 |
|
O2 .860 -.860 .110 |
|
O3 .130 -.130 .353 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cs2Nb6TiO18 |
| |
Desgardin G, Robert C, Groult D, Raveau B |
|   |
Journal of Solid State Chemistry 22 (1977) 101-111 |
|
Une nouvelle famille structurale: les titanoniobates et |
|
titanotantalates A2Nb6TiO18 et A2Ta6TiO18 |
|
_cod_database_code 1001015 |
|
_database_code_amcsd 0013349 |
|
7.533 7.533 8.189 90 90 120 P-3m1 |
|
atom x y z occ |
|
Cs1 1/3 2/3 .632 |
|
Nb1 0 0 .5 .857 |
|
Ti1 0 0 .5 .143 |
|
Nb2 .1700 -.1700 .1457 .857 |
|
Ti2 .1700 -.1700 .1457 .143 |
|
O1 .447 -.447 .160 |
|
O2 .861 -.861 .110 |
|
O3 .120 -.120 .370 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cs2Ta6TiO18 |
| |
Desgardin G, Robert C, Groult D, Raveau B |
|   |
Journal of Solid State Chemistry 22 (1977) 101-111 |
|
Une nouvelle famille structurale: les titanoniobates et |
|
titanotantalates A2Nb6TiO18 et A2Ta6TiO18 |
|
_cod_database_code 1001016 |
|
_database_code_amcsd 0013350 |
|
7.513 7.513 8.227 90 90 120 P-3m1 |
|
atom x y z occ |
|
Cs1 1/3 2/3 .628 |
|
Ta1 0 0 .5 .857 |
|
Ti1 0 0 .5 .143 |
|
Ta2 .1683 -.1683 .1503 .857 |
|
Ti2 .1683 -.1683 .1503 .143 |
|
O1 .447 -.447 .157 |
|
O2 .861 -.861 .115 |
|
O3 .130 -.130 .359 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K0.8 Mg0.4 O4 Ti1.6 |
| |
Groult D, Mercey C, Raveau B |
|   |
Journal of Solid State Chemistry 32 (1980) 289-296 |
|
Nouveaux oxydes a structure en feuillets: Les titanates de potassium |
|
non-stoechiometriques KX (MY Ti2-Y) O4 |
|
_cod_database_code 1001129 |
|
_database_code_amcsd 0013383 |
|
3.8207 15.641 2.9814 90 90 90 Cmc2_1 |
|
atom x y z occ |
|
K1 0 .0014 .243 .4 |
|
Mg1 0 .3136 .639 .2 |
|
Ti1 0 .3136 .639 .8 |
|
O1 0 .2178 .148 |
|
O2 0 .3835 .096 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K0.8 O4 Ti1.6 Zn0.4 |
| |
Groult D, Mercey C, Raveau B |
|   |
Journal of Solid State Chemistry 32 (1980) 289-296 |
|
Nouveaux oxydes a structure en feuillets: Les titanates de potassium |
|
non-stoechiometriques KX (MY Ti2-Y) O4 |
|
_cod_database_code 1001130 |
|
_database_code_amcsd 0013384 |
|
3.8064 15.692 2.9850 90 90 90 Cmc2_1 |
|
atom x y z occ |
|
K1 0 .0015 .244 .4 |
|
Zn1 0 .3145 .628 .2 |
|
Ti1 0 .3145 .628 .8 |
|
O1 0 .2178 .157 |
|
O2 0 .3836 .092 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cu3 O21 Rb Ta7 |
| |
Benmoussa A, Groult D, Studer F, Raveau B |
|   |
Journal of Solid State Chemistry 41 (1982) 221-226 |
|
Intergrowth of Hexagonal Tungsten Bronze and Perovskite-like |
|
Structures: The Oxides A Cu3 M7 O21 (A = K, Rb, Cs, Tl; M = Nb, Ta) |
|
_cod_database_code 1001218 |
|
_database_code_amcsd 0013465 |
|
28.11 7.503 7.548 90 90 90 Cmmm |
|
atom x y z occ |
|
Rb1 0 0 0 |
|
Rb2 0 0 .5 |
|
Cu1 .173 0 .5 |
|
Cu2 .321 0 .5 .5 |
|
Cu3 .318 0 0 |
|
Cu4 .183 0 0 .5 |
|
Ta1 0 .5 .244 |
|
Ta2 .1131 .2477 .255 |
|
Ta3 .25 .25 .252 |
|
O1 .088 0 .248 |
|
O2 .274 0 .220 |
|
O3 .366 0 .202 |
|
O4 .179 .164 .280 |
|
O5 .046 .304 .280 |
|
O6 .124 .322 .5 |
|
O7 .128 .187 0 |
|
O8 .236 .323 .5 .5 |
|
O9 .238 .186 0 .5 |
|
O10 .5 0 .5 |
|
O11 .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
|
|   |
|
TaWO5.5 |
| |
Groult D, Pannetier, Raveau B |
|   |
Journal of Solid State Chemistry 41 (1982) 277-285 |
|
Neutron diffraction study of the defect pyrochlores TaWO5.5, HTaWO6, |
|
H2Ta2O6, and HTaWO6*H2 O |
|
_cod_database_code 1001211 |
|
_database_code_amcsd 0013466 |
|
10.4372 10.4372 10.4372 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 0 0 0 .5 |
|
W1 0 0 0 .5 |
|
O1 .3089 .125 .125 .9167 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
HTaWO6 |
| |
Groult D, Pannetier, Raveau B |
|   |
Journal of Solid State Chemistry 41 (1982) 277-285 |
|
Neutron diffraction study of the defect pyrochlores TaWO5.5, HTaWO6, |
|
H2Ta2O6, and HTaWO6*H2 O |
|
_cod_database_code 1001212 |
|
_database_code_amcsd 0013467 |
|
10.4438 10.4438 10.4438 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 0 0 0 .5 |
|
W1 0 0 0 .5 |
|
O1 .3096 .125 .125 |
|
H1 .406 .125 .125 .1667 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
HTaWO6 |
| |
Groult D, Pannetier, Raveau B |
|   |
Journal of Solid State Chemistry 41 (1982) 277-285 |
|
Neutron diffraction study of the defect pyrochlores TaWO5.5, HTaWO6, |
|
H2Ta2O6, and HTaWO6*H2 O |
|
_cod_database_code 1001213 |
|
_database_code_amcsd 0013468 |
|
10.4443 10.4443 10.4443 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 0 0 0 .5 |
|
W1 0 0 0 .5 |
|
O1 .3094 .125 .125 |
|
H1 .395 .125 .125 .1667 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
DTaWO6 |
| |
Groult D, Pannetier, Raveau B |
|   |
Journal of Solid State Chemistry 41 (1982) 277-285 |
|
Neutron diffraction study of the defect pyrochlores TaWO5.5, HTaWO6, |
|
H2Ta2O6, and HTaWO6*H2 O |
|
_cod_database_code 1001214 |
|
_database_code_amcsd 0013469 |
|
10.4425 10.4425 10.4425 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 0 0 0 .5 |
|
W1 0 0 0 .5 |
|
O1 .3093 .125 .125 |
|
D1 .418 .125 .125 .1667 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
D1.8H0.2TaWO6 |
| |
Groult D, Pannetier, Raveau B |
|   |
Journal of Solid State Chemistry 41 (1982) 277-285 |
|
Neutron diffraction study of the defect pyrochlores TaWO5.5, HTaWO6, |
|
H2Ta2O6, and HTaWO6*H2 O |
|
_cod_database_code 1001215 |
|
_database_code_amcsd 0013470 |
|
10.4421 10.4421 10.4421 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 0 0 0 .5 |
|
W1 0 0 0 .5 |
|
O1 .3108 .125 .125 |
|
D1 .400 .125 .125 .1333 |
|
H1 .400 .125 .125 .0333 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H2Ta2O6 |
| |
Groult D, Pannetier, Raveau B |
|   |
Journal of Solid State Chemistry 41 (1982) 277-285 |
|
Neutron diffraction study of the defect pyrochlores TaWO5.5, HTaWO6, |
|
H2Ta2O6, and HTaWO6*H2 O |
|
_cod_database_code 1001216 |
|
_database_code_amcsd 0013471 |
|
10.6032 10.6032 10.6032 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 0 0 0 |
|
H1 .402 .125 .125 .3333 |
|
O1 .3109 .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
|
|   |
|
D1.4H1.6Ta2O6 |
| |
Groult D, Pannetier, Raveau B |
|   |
Journal of Solid State Chemistry 41 (1982) 277-285 |
|
Neutron diffraction study of the defect pyrochlores TaWO5.5, HTaWO6, |
|
H2Ta2O6, and HTaWO6*H2 O |
|
_cod_database_code 1001217 |
|
_database_code_amcsd 0013472 |
|
10.6106 10.6106 10.6106 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Ta1 0 0 0 |
|
D1 .391 .125 .125 .0667 |
|
H1 .391 .125 .125 .2667 |
|
O1 .3107 .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
|
|   |
|
O38 P4 W10 |
| |
Benmoussa A, Labbe P, Groult D, Raveau B |
|   |
Journal of Solid State Chemistry 44 (1982) 318-325 |
|
Mixed Valence Tungsten Oxides with a Tunnel Structure, |
|
P4W4nO12n+8: A Nonintegral Member P4 W10 O38 (n=2.5) |
|
_cod_database_code 1001234 |
|
_database_code_amcsd 0013493 |
|
6.5656 5.2850 20.573 90 96.18 90 P2_1 |
|
atom x y z |
|
W1 .5392 .25 .10908 |
|
W2 .4714 .2585 .38890 |
|
W3 .1785 .2575 .53569 |
|
W4 .8898 .2587 .68304 |
|
W5 .1496 .2471 .96227 |
|
P1 .7874 .2596 .2641 |
|
P2 .7468 .2300 .8402 |
|
O1 .3552 .2311 .0349 |
|
O2 .7008 .2347 .1948 |
|
O3 .6067 .2413 .3080 |
|
O4 .3175 .2302 .4605 |
|
O5 .6850 .5154 .0854 |
|
O6 .7092 .0214 .0754 |
|
O7 .3580 .4722 .1547 |
|
O8 .3839 .9578 .1404 |
|
O9 .9355 .0437 .2805 |
|
O10 .9066 .5097 .2728 |
|
O11 .6254 .5303 .4208 |
|
O12 .6665 .0403 .4278 |
|
O13 .3123 -.0184 .3523 |
|
O14 .2600 .4809 .3420 |
|
O15 .9812 .4664 .4948 |
|
O16 .9565 .2383 .8802 |
|
O17 .7794 .2702 .7695 |
|
O18 .0332 .2546 .6131 |
|
O19 -.0067 .4641 .0041 |
|
|
| 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
|
|   |
|
Ba2 Fe8 Ni3 O22 Sb2 |
| |
Fuchs G, Nguyen N, Greneche J, Groult D, Raveau B |
|   |
Journal of Solid State Chemistry 61 (1986) 223-229 |
|
Antiferromagnetic 6L-Hexagonal ferrites, Ba2Sb2M3Fe8O22 (M = Zn,Mg,Ni,Co) |
|
_cod_database_code 1001674 |
|
_database_code_amcsd 0013568 |
|
5.882 5.882 14.237 90 90 120 P-3m1 |
|
atom x y z occ |
|
Ba1 1/3 2/3 .417 |
|
Fe1 1/3 2/3 .955 |
|
Ni1 0 0 .384 |
|
Sb1 1/3 2/3 .680 .66 |
|
Ni2 1/3 2/3 .680 .34 |
|
Sb2 0 0 0 .67 |
|
Ni3 0 0 0 .33 |
|
Fe2 .174 .348 .172 |
|
O1 0 0 .236 |
|
O2 1/3 2/3 .084 |
|
O3 .163 .326 .909 |
|
O4 .496 .992 .228 |
|
O5 .183 .366 .585 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
O19 P5 Si V3 |
| |
Leclaire A, Chahboun H, Groult D, Raveau B |
|   |
Journal of Solid State Chemistry 65 (1986) 168-177 |
|
V3 P5 Si O19, a vanadosilicophospahte built up from V2 O9 octahedra |
|
clusters |
|
_cod_database_code 1001683 |
|
_database_code_amcsd 0013586 |
|
14.4671 14.4671 7.4605 90 90 120 P6_3 |
|
atom x y z |
|
V1 .3450 .3210 .05614 |
|
V2 .3393 .3248 .4445 |
|
P1 .2119 .4334 .2492 |
|
P2 .5163 .0961 .2608 |
|
P3 .2334 .0841 .2505 |
|
P4 0 0 .2911 |
|
Si1 -.3333 1/3 .2177 |
|
Si2 1/3 -.3333 .2975 |
|
O1 .3043 .2070 .2510 |
|
O2 .4599 .3974 .2532 |
|
O3 .2664 .3654 .2452 |
|
O4 .2449 .0415 .0741 |
|
O5 .2475 .0319 .4169 |
|
O6 .2672 -.1423 .0838 |
|
O7 .2688 -.1571 .4231 |
|
O8 .4587 .0742 .0866 |
|
O9 .4489 .0504 .4227 |
|
O10 .2449 -.3063 .2223 |
|
O11 -.4227 .2194 .2975 |
|
O12 0 0 -.0019 |
|
O13 .1185 .0677 .2527 |
|
O14 -.3333 1/3 .0080 |
|
|
| 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
|
|   |
|
K2 O17 P4 V3 |
| |
Leclaire A, Chahboun H, Groult D, Raveau B |
|   |
Journal of Solid State Chemistry 77 (1988) 170-179 |
|
Concerning the Intersecting Tunnel Structure of a Novel |
|
Vanadyldiphosphate K2 (V O3) (P2 O7)2 and Its Structural |
|
Relationships with Other V(V) and V(IV) Phosphates and Relatives |
|
_cod_database_code 1001371 |
|
_database_code_amcsd 0013627 |
|
17.407 11.3438 7.2964 90 90 90 Pna2_1 |
|
atom x y z |
|
V1 .1005 .6612 .25 |
|
V2 .1901 .3392 .2692 |
|
V3 .0013 .0017 .0412 |
|
K1 .1728 .1371 .7612 |
|
K2 .3619 .0352 .2418 |
|
P1 .3247 .3886 -.0430 |
|
P2 .3285 .3916 -.4435 |
|
P3 .0297 .2898 .0511 |
|
P4 .0258 .2936 .4589 |
|
O1 .1534 .5488 .2773 |
|
O2 .1560 .7569 .4344 |
|
O3 .1436 .7662 .0641 |
|
O4 .0273 .6255 .46303 |
|
O5 .0177 .6289 .0933 |
|
O6 .1093 .3465 .0540 |
|
O7 .1092 .3299 .4523 |
|
O8 .2638 .4137 .4163 |
|
O9 .2216 .2074 .2410 |
|
O10 .2504 .4086 .0433 |
|
O11 .0327 .1702 -.0117 |
|
O12 .0071 .0095 .2699 |
|
O13 -.0181 -.1649 .0486 |
|
O14 -.1101 .0328 .0604 |
|
O15 .1112 -.0263 .0309 |
|
O16 -.0078 .2921 .2483 |
|
O17 .3022 .4297 -.237 |
|
|
| 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
|
|   |
|
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
|
|   |
|
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
|
|   |
|
Fe2 O9 Pb1.01 Sr4 |
| |
Caignaert V, Daniel P, Nguyen N, Ducouret A, Groult D, Raveau B |
|   |
Journal of Solid State Chemistry 112 (1994) 126-131 |
|
Structure refinement of the 0201-1201 intergrowth-type ferrite PbSr4Fe2O9: |
|
powder neutron diffraction and Mossbauer spectroscopy studies |
|
_cod_database_code 1001606 |
|
_database_code_amcsd 0013824 |
|
3.84845 3.84845 30.68379 90 90 90 I4/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 .62 |
|
Pb2 .140 0 0 .0975 |
|
Sr1 .5 .5 .0855 |
|
Sr2 .5 .5 .2050 |
|
Fe1 0 0 .1512 |
|
O1 .141 0 .5 .25 |
|
O2 0 0 .0642 .0348 .0348 .0501 0 0 0 |
|
O3 .5 0 .1419 |
|
O4 0 0 .2145 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fe2 Hg0.3 O9 Pr0.57 Sr4 |
| |
Boullay P, Domenges B, Groult D, Raveau B |
|   |
Journal of Solid State Chemistry 124 (1996) 1-7 |
|
A mercury-based ferrite with a 0201-1201 structure: (Hg, Pr) Sr4 Fe2 O9 |
|
_cod_database_code 1001740 |
|
_database_code_amcsd 0013892 |
|
3.8174 3.8138 30.33899 90 90 90 Immm |
|
atom x y z occ |
|
Hg1 0 0 0 .30 |
|
Pr1 0 0 0 .57 |
|
Sr1 .5 .5 .0839 |
|
Sr2 .5 .5 .2054 |
|
Fe1 0 0 .1476 |
|
O1 .19 0 .5 .5 |
|
O2 0 0 .071 |
|
O3 .5 0 .1412 |
|
O4 0 .5 .1412 |
|
O5 0 0 .214 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Fe2 Hg0.467 O8.75 Sr2 Tl1.402 |
| |
Nguyen N, Groult D, Boullay P, Michel C, Raveau B |
|   |
Journal of Solid State Chemistry 132 (1997) 308-314 |
|
New mixed valent ferrites (Tl1.5 Hg0.5) Sr3-x Bax Fe2 O9-d (0 |
|
the Tl-2212-type structure |
|
_cod_database_code 1001812 |
|
_database_code_amcsd 0013937 |
|
3.8445 3.8445 30.09799 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 0 0 .2862 .701 |
|
Hg1 0 0 .2862 .234 |
|
Ba1 0 0 .1300 .30 |
|
Sr1 0 0 .1300 .70 |
|
Ba2 0 0 0 .40 |
|
Sr2 0 0 0 .60 |
|
Fe1 0 0 .4360 |
|
O1 0 0 .5 |
|
O2 0 0 .354 |
|
O3 .11 0 .221 .219 |
|
O4 0 .5 .4277 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fe2 Hg0.4325 O9 Pb0.4325 Sr4 |
| |
Nguyen N, Daniel P, Groult D, Raveau B, Greneche J |
|   |
Materials Chemistry and Physics 45 (1996) 33-38 |
|
New mixed valence iron oxides (Pb, A) Sr4 Fe2 O9-d (A = Cd, Hg) with |
|
the 0201 - 1201 intergrowth type structure |
|
_cod_database_code 1001752 |
|
_database_code_amcsd 0014208 |
|
3.8056 3.8056 30.48199 90 90 90 I4/mmm |
|
atom x y z occ |
|
Pb1 0 0 0 .4325 |
|
Hg1 0 0 0 .4325 |
|
Sr1 .5 .5 .0837 |
|
Sr2 .5 .5 .2062 |
|
Fe1 0 0 .1507 |
|
O1 .29 .5 0 .25 |
|
O2 0 0 .069 |
|
O3 .5 0 .1483 |
|
O4 0 0 .212 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cd0.395 Fe2 O9 Pb0.395 Sr4 |
| |
Nguyen N, Daniel P, Groult D, Raveau B, Greneche J |
|   |
Materials Chemistry and Physics 45 (1996) 33-38 |
|
New mixed valence iron oxides (Pb, A) Sr4 Fe2 O9-d (A = Cd, Hg) with |
|
the 0201 - 1201 intergrowth type structure |
|
_cod_database_code 1001753 |
|
_database_code_amcsd 0014209 |
|
3.8084 3.8084 30.45299 90 90 90 I4/mmm |
|
atom x y z occ |
|
Pb1 0 0 0 .215 |
|
Cd1 0 0 0 .215 |
|
Pb2 .102 0 0 .045 |
|
Cd2 .102 0 0 .045 |
|
Sr1 .5 .5 .0826 |
|
Sr2 .5 .5 .2052 |
|
Fe1 0 0 .1484 |
|
O1 .249 .5 0 .25 |
|
O2 0 0 .0687 |
|
O3 .5 0 .1447 |
|
O4 0 0 .212 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K O6 Sb W |
| |
Michel C, Groult D, Raveau B |
|   |
Materials Research Bulletin 8 (1973) 201-210 |
|
Sur de nouveaux pyrochlores A Sb W O6 (A = K, Rb, Cs, Tl) |
|
_cod_database_code 1001058 |
|
_database_code_amcsd 0014224 |
|
10.234 10.234 10.234 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
K1 .404 .404 .404 .25 |
|
Sb1 0 0 0 .5 |
|
W1 0 0 0 .5 |
|
O1 .32 .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
|
|   |
|
O6 Rb Sb W |
| |
Michel C, Groult D, Raveau B |
|   |
Materials Research Bulletin 8 (1973) 201-210 |
|
Sur de nouveaux pyrochlores A Sb W O6 (A = K, Rb, Cs, Tl) |
|
_cod_database_code 1001059 |
|
_database_code_amcsd 0014225 |
|
10.245 10.245 10.245 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Rb1 .394 .394 .394 .25 |
|
Sb1 0 0 0 .5 |
|
W1 0 0 0 .5 |
|
O1 .317 .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
|
|   |
|
Cs O6 Sb W |
| |
Michel C, Groult D, Raveau B |
|   |
Materials Research Bulletin 8 (1973) 201-210 |
|
Sur de nouveaux pyrochlores A Sb W O6 (A = K, Rb, Cs, Tl) |
|
_cod_database_code 1001060 |
|
_database_code_amcsd 0014226 |
|
10.279 10.279 10.279 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Cs1 .385 .385 .385 .25 |
|
Sb1 0 0 0 .5 |
|
W1 0 0 0 .5 |
|
O1 .322 .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
|
|   |
|
O6 Sb Tl W |
| |
Michel C, Groult D, Raveau B |
|   |
Materials Research Bulletin 8 (1973) 201-210 |
|
Sur de nouveaux pyrochlores A Sb W O6 (A = K, Rb, Cs, Tl) |
|
_cod_database_code 1001061 |
|
_database_code_amcsd 0014227 |
|
10.244 10.244 10.244 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Tl1 .403 .403 .403 .25 |
|
Sb1 0 0 0 .5 |
|
W1 0 0 0 .5 |
|
O1 .319 .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
|
|   |
|
Belkovite |
 |
Choisnet J, Nguyen N, Groult D, Raveau B |
|   |
Materials Research Bulletin 11 (1976) 887-894 |
|
De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: |
|
Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta) |
|
Locality: synthetic |
|
_database_code_amcsd 0014242 |
|
8.981 8.981 7.840 90 90 120 P-62m |
|
atom x y z Biso |
|
Ba .593 0 .5 0 |
|
Nb .238 0 .239 0 |
|
Si 1/3 2/3 .203 .25 |
|
O1 1/3 2/3 0 .61 |
|
O2 .273 0 0 .69 |
|
O3 .819 0 .236 .74 |
|
O4 .489 .183 .284 .48 |
|
O5 .227 0 .5 .68 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba3Ta6Si4O26 |
| |
Choisnet J, Nguyen N, Groult D, Raveau B |
|   |
Materials Research Bulletin 11 (1976) 887-894 |
|
De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: |
|
Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta) |
|
_database_code_amcsd 0014243 |
|
9.001 9.001 7.734 90 90 120 P-62m |
|
atom x y z Biso |
|
Ba .595 0 .5 2.14 |
|
Ta .242 0 .239 .80 |
|
Si 1/3 2/3 .207 .87 |
|
O1 1/3 2/3 0 1.55 |
|
O2 .314 0 0 1.27 |
|
O3 .809 0 .242 1.55 |
|
O4 .500 .174 .279 1.4 |
|
O5 .208 0 .5 1.62 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Sr3Ta6Si4O26 |
| |
Choisnet J, Nguyen N, Groult D, Raveau B |
|   |
Materials Research Bulletin 11 (1976) 887-894 |
|
De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: |
|
Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta) |
|
_database_code_amcsd 0014244 |
|
8.913 8.913 7.633 90 90 120 P-62m |
|
atom x y z Biso |
|
Sr .589 0 .5 1.18 |
|
Ta .242 0 .241 .54 |
|
Si 1/3 2/3 .209 1.72 |
|
O1 1/3 2/3 0 .74 |
|
O2 .307 0 0 2.94 |
|
O3 .799 0 .246 .80 |
|
O4 .498 .169 .278 .70 |
|
O5 .212 0 .5 2.93 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K6Ta6Si4O26 |
| |
Choisnet J, Nguyen N, Groult D, Raveau B |
|   |
Materials Research Bulletin 11 (1976) 887-894 |
|
De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: |
|
Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta) |
|
_database_code_amcsd 0014245 |
|
9.066 9.066 7.873 90 90 120 P-62m |
|
atom x y z Biso |
|
K1 .586 0 .5 .27 |
|
K2 .61 0 0 2.8 |
|
Ta .239 0 .249 .90 |
|
Si 1/3 2/3 .208 1.25 |
|
O1 1/3 2/3 0 .60 |
|
O2 .262 0 0 .83 |
|
O3 .811 0 .260 .52 |
|
O4 .500 .176 .289 .88 |
|
O5 .242 0 .5 .73 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K6Nb6Si4O26 |
| |
Choisnet J, Nguyen N, Groult D, Raveau B |
|   |
Materials Research Bulletin 11 (1976) 887-894 |
|
De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: |
|
Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta) |
|
_database_code_amcsd 0014246 |
|
9.032 9.032 8.041 90 90 120 P-62m |
|
atom x y z Biso |
|
K1 .591 0 .5 2.79 |
|
K2 .604 0 0 .73 |
|
Nb .239 0 .234 .80 |
|
Si 1/3 2/3 .203 1.25 |
|
O1 1/3 2/3 0 .60 |
|
O2 .25 0 0 .10 |
|
O3 .816 0 .237 1.3 |
|
O4 .494 .176 .265 .10 |
|
O5 .268 0 .5 1.29 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba3 O26 Si4 Ta6 |
| |
Choisnet J, Nguyen N, Groult D, Raveau B |
|   |
Materials Research Bulletin 11 (1976) 887-894 |
|
De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: |
|
Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta) |
|
_cod_database_code 1001102 |
|
_database_code_amcsd 0014247 |
|
9.001 9.001 7.734 90 90 120 P-62m |
|
atom x y z |
|
Ba1 .595 0 .5 |
|
Ta1 .242 0 .239 |
|
Si1 1/3 2/3 .207 |
|
O1 1/3 2/3 0 |
|
O2 .314 0 0 |
|
O3 .809 0 .242 |
|
O4 .5 .174 .279 |
|
O5 .208 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
|
|   |
|
O26 Si4 Sr3 Ta6 |
| |
Choisnet J, Nguyen N, Groult D, Raveau B |
|   |
Materials Research Bulletin 11 (1976) 887-894 |
|
De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: |
|
Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta) |
|
_cod_database_code 1001103 |
|
_database_code_amcsd 0014248 |
|
8.913 8.913 7.633 90 90 120 P-62m |
|
atom x y z Uiso |
|
Sr1 .589 0 .5 .01494 |
|
Ta1 .242 0 .241 .00684 |
|
Si1 1/3 2/3 .209 .02178 |
|
O1 1/3 2/3 0 .00937 |
|
O2 .307 0 0 .03724 |
|
O3 .799 0 .246 .01013 |
|
O4 .498 .169 .278 .00887 |
|
O5 .212 0 .5 .03711 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K6 O26 Si4 Ta6 |
| |
Choisnet J, Nguyen N, Groult D, Raveau B |
|   |
Materials Research Bulletin 11 (1976) 887-894 |
|
De nouveaux oxydes a reseau forme d'octaedres Nb O6 (Ta O6) et de |
|
groupes Si2 O7: Les phases A3 Ta6 Si4 O26 (A= Ba, Sr) et |
|
K6 M6 Si4 O26 (M= Nb, Ta) |
|
_cod_database_code 1001104 |
|
_database_code_amcsd 0014249 |
|
9.066 9.066 7.873 90 90 120 P-62m |
|
atom x y z |
|
K1 .586 0 .5 |
|
K2 .61 0 0 |
|
Ta1 .239 0 .249 |
|
Si1 1/3 2/3 .208 |
|
O1 1/3 2/3 0 |
|
O2 .262 0 0 |
|
O3 .811 0 .26 |
|
O4 .5 .176 .289 |
|
O5 .242 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
|
|   |
|
K6 Nb6 O26 Si4 |
| |
Choisnet J, Nguyen N, Groult D, Raveau B |
|   |
Materials Research Bulletin 11 (1976) 887-894 |
|
De nouveaux oxydes a reseau forme d'octaedres Nb O6 (Ta O6) et de |
|
groupes Si2 O7: Les phases A3 Ta6 Si4 O26 (A= Ba, Sr) et |
|
K6 M6 Si4 O26 (M= Nb, Ta) |
|
_cod_database_code 1001105 |
|
_database_code_amcsd 0014250 |
|
9.032 9.032 8.041 90 90 120 P-62m |
|
atom x y z |
|
K1 .591 0 .5 |
|
K2 .604 0 0 |
|
Nb1 .239 0 .234 |
|
Si1 1/3 2/3 .203 |
|
O1 1/3 2/3 0 |
|
O2 .25 0 0 |
|
O3 .816 0 .237 |
|
O4 .494 .176 .265 |
|
O5 .268 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
|
|   |
|
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
|
|   |
|
Ba3 O21 Sb4 Ti4 |
| |
Saurel C, Groult D, Raveau B |
|   |
Materials Research Bulletin 12 (1977) 629-635 |
|
Etude du comportement de l'antimoine V et du strontium dans les oxydes |
|
a structure en cages du type A3 M8 O21 |
|
_cod_database_code 1001277 |
|
_database_code_amcsd 0014257 |
|
8.966 8.966 11.857 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
Ba1 .604 0 .25 |
|
Ti1 .232 0 .100 .6667 |
|
Sb1 .232 0 .100 .3333 |
|
Sb2 1/3 2/3 0 |
|
O1 .238 0 .25 |
|
O2 .825 0 .086 |
|
O3 .181 .492 .110 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Nb4 O21 Sr3 Ti4 |
| |
Saurel C, Groult D, Raveau B |
|   |
Materials Research Bulletin 12 (1977) 629-635 |
|
Etude du comportement de l'antimoine V et du strontium dans les oxydes |
|
a structure en cages du type A3 M8 O21 |
|
_cod_database_code 1001278 |
|
_database_code_amcsd 0014258 |
|
8.992 8.992 11.605 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
Sr1 .595 0 .25 |
|
Ti1 .244 0 .0929 .5 |
|
Nb1 .244 0 .0929 .5 |
|
Nb2 1/3 2/3 0 .5 |
|
Ti2 1/3 2/3 0 .5 |
|
O1 .247 0 .25 |
|
O2 .797 0 .078 |
|
O3 .170 .5 .112 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
O21 Sr3 Ta4 Ti4 |
| |
Saurel C, Groult D, Raveau B |
|   |
Materials Research Bulletin 12 (1977) 629-635 |
|
Etude du comportement de l'antimoine V et du strontium dans les oxydes |
|
a structure en cages du type A3 M8 O21 |
|
_cod_database_code 1001279 |
|
_database_code_amcsd 0014259 |
|
9.008 9.008 11.629 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
Sr1 .597 0 .25 |
|
Ti1 .247 0 .092 .6667 |
|
Ta1 .247 0 .092 .3333 |
|
Ta2 1/3 2/3 0 |
|
O1 .191 0 .25 |
|
O2 .796 0 .079 |
|
O3 1/6 .506 .111 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba3 Li Nb3 O21 Ti5 |
| |
Mercey C, Groult D, Raveau B |
|   |
Materials Research Bulletin 13 (1978) 797-804 |
|
Insertion du lithium dans les oxydes de type A3 M8 O21: les |
|
composes Li Ba M3 Ti5 O21 |
|
_cod_database_code 1001281 |
|
_database_code_amcsd 0014264 |
|
9.072 9.072 11.670 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
Li1 0 0 .25 |
|
Ba1 .596 0 .25 |
|
Ti1 .242 0 .094 .75 |
|
Nb1 .242 0 .094 .25 |
|
Ti2 1/3 2/3 0 .25 |
|
Nb2 1/3 2/3 0 .75 |
|
O1 .223 0 .25 |
|
O2 .786 0 .089 |
|
O3 .169 .483 .108 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba3 Li Nb3 O21 Ti5 |
| |
Mercey C, Groult D, Raveau B |
|   |
Materials Research Bulletin 13 (1978) 797-804 |
|
Insertion du lithium dans les oxydes de type A3 M8 O21: les |
|
composes Li Ba M3 Ti5 O21 |
|
_cod_database_code 1001282 |
|
_database_code_amcsd 0014265 |
|
9.072 9.072 11.670 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
Li1 0 0 .25 |
|
Ba1 .597 0 .25 |
|
Ti1 .240 0 .097 .75 |
|
Nb1 .240 0 .097 .25 |
|
Ti2 1/3 2/3 0 .25 |
|
Nb2 1/3 2/3 0 .75 |
|
O1 .207 0 .25 |
|
O2 .789 0 .079 |
|
O3 1/6 .475 .102 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba3 Li O21 Ta3 Ti5 |
| |
Mercey C, Groult D, Raveau B |
|   |
Materials Research Bulletin 13 (1978) 797-804 |
|
Insertion du lithium dans les oxydes de type A3 M8 O21: les |
|
composes Li Ba M3 Ti5 O21 |
|
_cod_database_code 1001283 |
|
_database_code_amcsd 0014266 |
|
9.062 9.062 11.679 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
Li1 0 0 .25 |
|
Ba1 .596 0 .25 |
|
Ti1 .246 0 .093 .8333 |
|
Ta1 .246 0 .093 .1667 |
|
Ta2 1/3 2/3 0 |
|
O1 .220 0 .25 |
|
O2 .800 0 .089 |
|
O3 .172 .49 .106 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba3 Li O21 Sb3 Ti5 |
| |
Mercey C, Groult D, Raveau B |
|   |
Materials Research Bulletin 13 (1978) 797-804 |
|
Insertion du lithium dans les oxydes de type A3 M8 O21: les |
|
composes Li Ba M3 Ti5 O21 |
|
_cod_database_code 1001284 |
|
_database_code_amcsd 0014267 |
|
8.978 8.978 11.815 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
Li1 0 0 .25 |
|
Ba1 .595 0 .25 |
|
Ti1 .246 0 .093 .75 |
|
Sb1 .246 0 .093 .25 |
|
Ti2 1/3 2/3 0 .25 |
|
Sb2 1/3 2/3 0 .75 |
|
O1 .218 0 .25 |
|
O2 .823 0 .086 |
|
O3 .179 .496 .098 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K Nb5 O25 Ti6 |
| |
Groult D, Raveau B |
|   |
Materials Research Bulletin 18 (1983) 141-146 |
|
K Ti6 Nb5 O25: A member of a series of chemically twinned Rutile |
|
oxides (A M3 O9)(M2 O4)n |
|
_cod_database_code 1001235 |
|
_database_code_amcsd 0014300 |
|
6.611 8.880 30.154 90 90 90 Cmcm |
|
atom x y z occ |
|
K1 0 .797 .25 |
|
Nb1 0 .5 0 .5 |
|
Ti1 0 .5 0 .5 |
|
Nb2 0 .686 .1093 .3 |
|
Ti2 0 .686 .1093 .7 |
|
Nb3 0 .895 .0359 .475 |
|
Ti3 0 .895 .0359 .525 |
|
Nb4 0 .419 .1863 .6 |
|
Ti4 0 .419 .1863 .4 |
|
Nb5 0 .288 .0808 .275 |
|
Ti5 0 .288 .0808 .725 |
|
Nb6 0 .0387 .1480 .6 |
|
Ti6 0 .0387 .1480 .4 |
|
O1 0 .423 .25 |
|
O2 0 .209 .1878 |
|
O3 0 .436 .1190 |
|
O4 0 .664 .1755 |
|
O5 0 .910 .103 |
|
O6 0 .691 .0372 |
|
O7 0 .110 .0266 |
|
O8 .311 .413 .1747 |
|
O9 .310 .683 .1135 |
|
O10 .305 .878 .0370 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba Nb4 O17 Ti3 |
| |
Mezaoui D, Michel C, Groult D, Raveau B |
|   |
Materials Research Bulletin 21 (1986) 1039-1044 |
|
A M3 O9 (M2 O4)n: A series of oxides derived from the rutile |
|
structure by chemical twinning |
|
_cod_database_code 1001353 |
|
_database_code_amcsd 0014320 |
|
6.639 8.957 21.145 90 90 90 Cmcm |
|
atom x y z occ |
|
Ba1 0 .9807 .25 |
|
Ti1 0 .1026 .0568 .6 |
|
Nb1 0 .1026 .0568 .4 |
|
Ti2 0 .3446 .3404 .225 |
|
Nb2 0 .3446 .3404 .775 |
|
Ti3 0 .7359 .3878 .3 |
|
Nb3 0 .7359 .3878 .7 |
|
Ti4 0 .5 .5 .75 |
|
Nb4 0 .5 .5 .25 |
|
O1 0 .546 .3365 |
|
O2 0 .304 .25 |
|
O3 0 .315 .4549 |
|
O4 0 .889 .4539 |
|
O5 0 .120 .3570 |
|
O6 .195 .197 .6571 |
|
O7 .280 .096 .4562 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
O5 Ta V |
| |
Chahboun H, Groult D, Raveau B |
|   |
Materials Research Bulletin 23 (1988) 805-812 |
|
Ta V O5, a novel derivative of the series of monophosphate tungsten |
|
bronzes (P O2)4 (W O3)2m |
|
_cod_database_code 1001386 |
|
_database_code_amcsd 0014331 |
|
11.860 5.516 6.928 90 90 90 Pnma |
|
atom x y z |
|
Ta1 .0610 .25 .343 |
|
V1 .339 .25 .543 |
|
O1 0 0 .5 |
|
O2 .119 .010 .132 |
|
O3 .203 .25 .464 |
|
O4 .418 .25 .338 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba2 Ca1.07 Cu2 O8 Tl1.93 |
| |
Maignan A, Michel C, Hervieu M, Martin C, Groult D, Raveau B |
|   |
Modern Physics Letters B 2 (1988) 681-687 |
|
Tl2Ba2CaCu2O8: structure and superconductivity |
|
_cod_database_code 1001420 |
|
_database_code_amcsd 0014653 |
|
3.86 3.86 29.388 90 90 90 I4/mmm |
|
atom x y z occ |
|
Tl1 .5 .5 .2147 .9 |
|
Ca1 .5 .5 .2147 .1 |
|
Ba1 0 0 .1220 |
|
Ca2 0 0 0 .87 |
|
Tl2 0 0 0 .13 |
|
Cu1 .5 .5 .0558 |
|
O1 0 .5 .053 |
|
O2 .5 .5 .145 |
|
O3 .5 .5 .297 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fe2 O8 Pb0.5 Sr3 Tl0.5 |
| |
Nguyen N, Groult D, Caignaert V, Ducouret A, Raveau B |
|   |
Physica B 228 (1996) 251-260 |
|
Neutron diffraction and Mossbauer spectroscopy studies of the mixed |
|
valent Tl-1212 ferrite (Tl0.5 Pb0.5) Sr3 Fe2 O8 |
|
_cod_database_code 1001757 |
|
_database_code_amcsd 0015006 |
|
3.81474 3.81474 12.8293 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) |
|
Tl1 .0763 0 0 .125 |
|
Pb1 0 0 0 .5 |
|
Sr1 .5 .5 .5 |
|
Sr2 .5 .5 .2004 |
|
Fe1 0 0 .3500 |
|
O1 .3860 .5 0 .25 |
|
O2 0 0 .1559 .016 .016 .024 0 0 0 |
|
O3 0 0 .5 |
|
O4 0 .5 .3356 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fe2 O8 Pb0.5 Sr3 Tl0.5 |
| |
Nguyen N, Groult D, Caignaert V, Ducouret A, Raveau B |
|   |
Physica B 228 (1996) 251-260 |
|
Neutron diffraction and Mossbauer spectroscopy studies of the mixed |
|
valent Tl-1212 ferrite (Tl0.5 Pb0.5) Sr3 Fe2 O8 |
|
_cod_database_code 1001758 |
|
_database_code_amcsd 0015007 |
|
3.81002 3.81002 12.7964 90 90 90 P4/mmm |
|
atom x y z occ |
|
Tl1 .0780 0 0 .125 |
|
Pb1 0 0 0 .5 |
|
Sr1 .5 .5 .5 |
|
Sr2 .5 .5 .2009 |
|
Fe1 0 0 .3500 |
|
O1 .3806 .5 0 .25 |
|
O2 0 0 .1629 .480 |
|
O3 0 0 .1507 .520 |
|
O4 0 0 .5 |
|
O5 0 .5 .3359 |
|
|
| 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 Cu2 O6.3 Pb0.46 Sr2.46 Y0.5 |
| |
Rouillon T, Provost J, Hervieu M, Groult D, Michel C, Raveau B |
|   |
Physica C 159 (1989) 201-209 |
|
Superconductivity up to 100 K in lead cuprates: A new superconductor |
|
Pb.5 Sr2.5 Y.5 Ca.5 Cu2 O7-delta |
|
_cod_database_code 1001412 |
|
_database_code_amcsd 0015015 |
|
3.817 3.817 11.907 90 90 90 P4/mmm |
|
atom x y z occ |
|
Pb1 .5 .5 .5 .46 |
|
Sr1 .5 .5 .5 .46 |
|
Sr2 0 0 .2890 |
|
Y1 0 0 0 .5 |
|
Ca1 0 0 0 .5 |
|
Cu1 .5 .5 .1362 |
|
O1 0 .5 .127 |
|
O2 .5 .5 .318 .65 |
|
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
|
|   |
|
Ce Cu3 Nd O10.2 Pb2 Sr2 |
| |
Rouillon T, Groult D, Hervieu M, Michel C, Raveau B |
|   |
Physica C 167 (1990) 107-111 |
|
Pb2Sr2LnCeCu3O10 delta, a new member of the layeredcuprates |
|
family, built up from double fluorite-type layers |
|
_cod_database_code 1001458 |
|
_database_code_amcsd 0015018 |
|
5.442 5.462 36.90 90 90 90 Fmmm |
|
atom x y z occ |
|
Pb1 0 0 .0478 |
|
Sr1 0 0 .382 |
|
Nd1 0 0 .2831 .5 |
|
Ce1 0 0 .2831 .5 |
|
Cu1 0 0 .5 |
|
Cu2 0 0 .164 |
|
O1 0 0 0 .2 |
|
O2 0 0 .449 |
|
O3 0 0 .1033 |
|
O4 .75 .25 .323 |
|
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
|
|   |
|
Na2 O6 Ta2 |
| |
Michel C, Groult D, Chailleux J, Raveau B |
|   |
Revue de Chimie Minerale 13 (1976) 283-289 |
|
Sur de nouveaux pyrochlores lacunaires riches en sodium Na1+a Ta1+a |
|
W1-a O6 synthetises par echange carionique en phase solide |
|
_cod_database_code 1001030 |
|
_database_code_amcsd 0015376 |
|
10.442 10.442 10.442 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Na1 .5 .5 .5 .87 |
|
Ta1 .5 .5 .5 .13 |
|
Na2 0 0 0 .13 |
|
Ta2 0 0 0 .87 |
|
O1 .322 .125 .125 .913 |
|
O2 .375 .375 .375 .52 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K3 O21 Ta7 Ti |
| |
Groult D, Chailleux J, Raveau B, Deschanvres A |
|   |
Revue de Chimie Minerale 14 (1977) 1-10 |
|
Nouveaux tantalates A3 (Ta8-x Mx) O21 a structure en cages |
|
_cod_database_code 1001298 |
|
_database_code_amcsd 0015377 |
|
9.086 9.086 12.054 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
K1 .592 0 .25 |
|
Ta1 .246 0 .096 .8333 |
|
Ti1 .246 0 .096 .1667 |
|
Ta2 1/3 2/3 0 |
|
O1 .218 0 .25 |
|
O2 .792 0 .09 |
|
O3 .17 .494 .095 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Fe0.5 K3 O21 Ta7.5 |
| |
Groult D, Chailleux J, Raveau B, Deschanvres A |
|   |
Revue de Chimie Minerale 14 (1977) 1-10 |
|
Nouveaux tantalates A3 (Ta8-x Mx) O21 a structure en cages |
|
_cod_database_code 1001299 |
|
_database_code_amcsd 0015378 |
|
9.12 9.12 12.086 90 90 120 P6_3/mcm |
|
atom x y z occ |
|
K1 .598 0 .25 |
|
Ta1 .248 0 .096 .9167 |
|
Fe1 .248 0 .096 .0833 |
|
Ta2 1/3 2/3 0 |
|
O1 .224 0 .25 |
|
O2 .792 0 .089 |
|
O3 .174 .497 .095 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
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