|
Rubicline |
| |
Gasperin M |
 |
Acta Crystallographica B27 (1971) 854-855 |
|
Structure cristalline de RbAlSi3O8 |
|
_cod_database_code 1001771 |
|
_database_code_amcsd 0009393 |
|
8.82 12.992 7.161 90 116.4 90 C2/m |
|
atom x y z occ |
|
Rb1 .2958 0 .1468 |
|
Al1 .0104 .1904 .2227 .25 |
|
Al2 .7227 .1195 .3440 .25 |
|
Si1 .0104 .1904 .2227 .75 |
|
Si2 .7227 .1195 .3440 .75 |
|
O1 0 .1525 0 |
|
O2 .664 0 .283 |
|
O3 .832 .1596 .226 |
|
O4 .0464 .3145 .263 |
|
O5 .1682 .1283 .403 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Na0.82 Nb2 O6.76 U0.45 |
| |
Chevalier R, Gasperin M |
 |
Acta Crystallographica B28 (1972) 985-986 |
|
Mise en evidence d'une transformation ordre-desordre dans un cristal de |
|
type pyrochlore. |
|
_cod_database_code 1001183 |
|
_database_code_amcsd 0009430 |
|
10.4 10.4 10.4 90 90 90 Fd3m |
|
atom x y z occ |
|
U1 .625 .625 .625 .225 |
|
Na1 .625 .625 .625 .41 |
|
Nb1 .125 .125 .125 |
|
O1 .5 .5 .5 .76 |
|
O2 .187 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
|
|   |
|
TlNbB2O6 |
| |
Gasperin M |
 |
Acta Crystallographica B30 (1974) 1181-1183 |
|
Synthese et structure d'un oxyde multiple d'un type nouveau: TlNbB2O6 |
|
_cod_database_code 1001024 |
|
_database_code_amcsd 0009504 |
|
7.82 9.46 7.40 90 90 90 Pn2_1a |
|
atom x y z |
|
Tl1 .0008 .25 .2567 |
|
Nb1 .1617 .6348 .2402 |
|
O1 .344 .298 .914 |
|
O2 .288 .985 .247 |
|
O3 .144 .494 .441 |
|
O4 .270 .285 .566 |
|
O5 .772 .990 .939 |
|
O6 .558 .139 .692 |
|
B1 .766 .425 .589 |
|
B2 .212 .419 .589 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
La2 O7 Ti2 |
| |
Gasperin M |
 |
Acta Crystallographica B31 (1975) 2129-2130 |
|
Dititanate de lanthane |
|
_cod_database_code 1001022 |
|
_database_code_amcsd 0009540 |
|
7.800 13.011 5.546 90 90 98.60 P2_1 |
|
atom x y z |
|
La1 .2789 .1138 .25 |
|
La2 .7741 .0993 .2543 |
|
La3 .3502 .3909 .8026 |
|
La4 .8525 .4164 .8413 |
|
Ti1 .0320 .1191 .7630 |
|
Ti2 .5271 .1200 .7598 |
|
Ti3 .0780 .3228 .2946 |
|
Ti4 .5833 .3263 .2975 |
|
O1 .776 .109 .799 |
|
O2 .275 .090 .698 |
|
O3 .030 .016 .024 |
|
O4 .479 .020 .026 |
|
O5 .098 .226 .969 |
|
O6 .517 .229 .963 |
|
O7 .033 .187 .460 |
|
O8 .559 .189 .455 |
|
O9 .089 .409 .554 |
|
O10 .613 .398 .569 |
|
O11 .121 .432 .078 |
|
O12 .599 .440 .089 |
|
O13 .327 .312 .323 |
|
O14 .825 .300 .221 |
|
|
| 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 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
|
|   |
|
TlNb3.09O8.22 |
| |
Gasperin M |
 |
Acta Crystallographica B33 (1977) 2306-2308 |
|
Un niobate de thallium de type 'bronze hexagonal' excedentaire en cations |
|
_cod_database_code 1001010 |
|
_database_code_amcsd 0009597 |
|
7.551 13.005 7.734 90 90 90 C222_1 |
|
atom x y z occ |
|
Tl1 .0666 .0054 .2625 .16 |
|
Tl2 .0280 -.0257 .2599 .24 |
|
Tl3 .0303 .0340 .2233 .1 |
|
Nb1 .5034 0 0 |
|
Nb2 .2497 .2481 .0009 |
|
Nb3 0 .3428 .25 .09 |
|
O1 0 .5315 .25 .406 |
|
O2 .7936 .2200 .2518 .908 |
|
O3 .4976 .2845 .0526 |
|
O4 .1802 .3952 .0341 |
|
O5 .1888 .3951 .4545 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
La6 O18 Re4 |
| |
Besse J, Baud G, Chevalier R, Gasperin M |
 |
Acta Crystallographica B34 (1978) 3532-3535 |
|
Structure Cristalline d'Oxydes Doubles de Rhenium. II.L'Oxyde de |
|
Lanthane-Rhenium La6 Re4 O18 |
|
_cod_database_code 1001202 |
|
_database_code_amcsd 0009649 |
|
6.858 11.198 5.673 105.32 111.17 92.94 P-1 |
|
atom x y z |
|
Re1 .1122 .0909 .6003 |
|
Re2 .6219 .4283 .0730 |
|
La1 .9055 .3804 .6622 |
|
La2 .7248 .7295 .7274 |
|
La3 .6659 .1178 .8972 |
|
O1 .3218 .4264 .0475 |
|
O2 .6909 .9346 .0856 |
|
O3 .9155 .4073 .1103 |
|
O4 .0207 .8160 .1787 |
|
O5 .6151 .2887 .2235 |
|
O6 .4442 .6869 .2697 |
|
O7 .9904 .1872 .3698 |
|
O8 .7492 .5367 .4224 |
|
O9 .3264 .0726 .4555 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
F6 Na2 U |
| |
Cousson A, Tabuteau A, Pages M, Gasperin M |
 |
Acta Crystallographica B35 (1979) 1198-1200 |
|
Disodium uranium(IV) fluoride |
|
_cod_database_code 1001038 |
|
_database_code_amcsd 0009667 |
|
6.112 6.112 7.240 90 90 120 P3 |
|
atom x y z |
|
U1 1/3 .6666 .8579 |
|
U2 .6666 1/3 .1394 |
|
Na1 0 0 .0313 |
|
Na2 0 0 .5111 |
|
Na3 1/3 2/3 .4141 |
|
Na4 2/3 1/3 .6213 |
|
F1 .3166 .9191 .1083 |
|
F2 .7157 .0911 .3459 |
|
F3 .0924 .3946 .6354 |
|
F4 .6991 .0800 .9029 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Nb7 O18.25 Tl0.96 |
| |
Bhide V, Gasperin M |
 |
Acta Crystallographica B35 (1979) 1318-1321 |
|
A new GTB-type thallium niobate |
|
_cod_database_code 1001037 |
|
_database_code_amcsd 0009669 |
|
27.50 27.50 3.94 90 90 90 P4/mbm |
|
atom x y z occ |
|
Nb1 .5 0 0 |
|
Nb2 .1986 .6986 0 |
|
Nb3 .2328 .9379 0 |
|
Nb4 .3678 .9642 0 |
|
Nb5 .0664 .7212 0 |
|
Nb6 .1583 .8260 0 |
|
Nb7 .0382 .8390 0 |
|
Nb8 .0864 .9484 0 |
|
Nb9 0 0 0 .6 |
|
Nb10 .3840 .8842 .5 .2 |
|
O1 0 .5 .5 |
|
O2 .1976 .6976 .5 |
|
O3 .2280 .9377 .5 |
|
O4 .3653 .9601 .5 |
|
O5 .0652 .7215 .5 |
|
O6 .1575 .8273 .5 |
|
O7 .0381 .8397 .5 |
|
O8 .0791 .9500 .5 |
|
O9 .3992 .8992 0 |
|
O10 .2082 .8718 0 |
|
O11 .2997 .9302 0 |
|
O12 .1954 .7684 0 |
|
O13 .1044 .8780 0 |
|
O14 .0208 .9144 0 |
|
O15 .1562 .9621 0 |
|
O16 .0944 .7904 0 |
|
O17 .0107 .7684 0 |
|
O18 .1271 .6932 0 |
|
O19 .0277 .6652 0 |
|
O20 .4283 .9996 0 |
|
Tl1 .1084 .6084 .5 .28 |
|
Tl2 .0776 .5925 .5 .36 |
|
Tl3 .3426 .8556 .5 .24 |
|
Tl4 .3268 .8632 .5 .06 |
|
Tl5 .2608 .8030 .5 .02 |
|
Tl6 .2697 .7822 .5 .14 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
F29 Na3 Th6 Zn |
| |
Cousson A, Tabuteau A, Pages M, Gasperin M |
 |
Acta Crystallographica B35 (1979) 2674-2676 |
|
Fluorure complexe de thorium, sodium et zinc |
|
_cod_database_code 1001047 |
|
_database_code_amcsd 0009694 |
|
10.116 10.116 13.255 90 90 120 P321 |
|
atom x y z occ |
|
Th1 .4028 .0794 .1491 |
|
Th2 .4007 .3235 .6484 |
|
Zn1 0 0 0 |
|
Zn2 0 0 .5 |
|
Na1 0 0 .2624 |
|
Na2 1/3 2/3 .0893 |
|
Na3 1/3 2/3 .6012 |
|
F1 .1315 .4369 .0348 |
|
F2 .2040 .0898 .0927 .66 |
|
F3 .5228 .3404 .1178 |
|
F4 .1195 .5861 .2005 |
|
F5 .1229 .3166 .2231 |
|
F6 .5244 .1111 .3086 |
|
F7 .3142 .1933 .2652 |
|
F8 .1510 .4948 .3989 |
|
F9 .084 .8949 .4104 |
|
F10 .4433 .3134 .4661 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cs2 Nb4 O11 |
| |
Gasperin M |
 |
Acta Crystallographica B37 (1981) 641-643 |
|
Structure du Niobate de Cesium Cs2 Nb4 O11 |
|
_cod_database_code 1001171 |
|
_database_code_amcsd 0009732 |
|
10.484 28.898 7.464 90 90 90 P2nn |
|
atom x y z |
|
Cs1 .0879 .0752 -.0021 |
|
Cs2 .1084 .3080 -.0089 |
|
Cs3 .3777 .0753 .4983 |
|
Cs4 .3566 .3082 .4958 |
|
Nb1 .4939 .3752 .0025 |
|
Nb2 .2253 .1873 .2309 |
|
Nb3 .7422 .3106 .2340 |
|
Nb4 .2309 .4384 .2461 |
|
Nb5 .5 0 0 |
|
Nb6 -.0400 0 .5 |
|
Nb7 .4713 .1260 .0026 |
|
Nb8 .4853 .2489 .0052 |
|
Nb9 .7329 .0611 .2526 |
|
O1 .0506 .3155 .5019 |
|
O2 .0621 .0523 .5005 |
|
O3 .1099 .4999 .2932 |
|
O4 .1075 .1344 .3106 |
|
O5 .1126 .2340 .3199 |
|
O6 .0961 .4013 .3068 |
|
O7 .1126 .1345 .6873 |
|
O8 .1104 .2340 .6798 |
|
O9 .0944 .40010 .6897 |
|
O10 .1755 .1854 .0011 |
|
O11 .1877 .4460 -.0020 |
|
O12 .3016 .1851 .4983 |
|
O13 .2852 .4485 .5011 |
|
O14 .3589 .1394 .1774 |
|
O15 .3615 .2328 .1869 |
|
O16 .3634 .3996 .1861 |
|
O17 .3580 .4998 .1944 |
|
O18 .3537 .1393 .8240 |
|
O19 .3652 .2330 .8124 |
|
O20 .3635 .3994 .8163 |
|
O21 .4072 .0500 .0013 |
|
O22 .4254 .3164 .0028 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H N S7 |
| |
Gasperin M, Freymann R, Garcia-Fernandez H |
 |
Acta Crystallographica B38 (1982) 1728-1731 |
|
Les Complexes a Transfert de Charge Octasoufre - Sulfurimine. Etude |
|
Structurale du Compose Octasoufre - Cyclotetraazathiane (3:1) |
|
_cod_database_code 1001159 |
|
_database_code_amcsd 0009767 |
|
8.440 13.034 8.203 90 112.49 90 P2/c |
|
atom x y z occ |
|
S1 .4577 .8935 .1504 .875 |
|
S2 .1193 .7976 .1992 .875 |
|
S3 -.0224 .0308 .2203 .875 |
|
S4 .3193 .1271 .1702 .875 |
|
S5 .8401 .5793 .0292 .875 |
|
S6 .7130 .4430 -.0322 .875 |
|
S7 .8239 .3458 .1757 .875 |
|
S8 .6996 .6769 .1156 .875 |
|
N1 .4577 .8935 .1504 .125 |
|
N2 .1193 .7976 .1992 .125 |
|
N3 -.0224 .0308 .2203 .125 |
|
N4 .3193 .1271 .1702 .125 |
|
N5 .8401 .5793 .0292 .125 |
|
N6 .7130 .4430 -.0322 .125 |
|
N7 .8239 .3458 .1757 .125 |
|
N8 .6996 .6769 .1156 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
KNb3O8 |
| |
Gasperin M |
 |
Acta Crystallographica B38 (1982) 2024-2026 |
|
Structure du Triniobate(V) de Potassium KNb3O8, un Niobate Lamellaire |
|
_cod_database_code 1001208 |
|
_database_code_amcsd 0009776 |
|
8.903 21.16 3.799 90 90 90 Amam |
|
atom x y z |
|
Nb1 .9403 .3682 0 |
|
Nb2 .25 .2416 0 |
|
K1 .25 .9845 0 |
|
O1 .4080 .1565 0 |
|
O2 .0654 .4311 0 |
|
O3 .0951 .2954 0 |
|
O4 .25 .7134 0 |
|
O5 .25 .5851 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
F15 Fe Na Np3 |
| |
Cousson A, Abazli H, Pages M, Gasperin M |
 |
Acta Crystallographica B38 (1982) 2668-2670 |
|
Structure de Na Fe Np3 F15 |
|
_cod_database_code 1001226 |
|
_database_code_amcsd 0009778 |
|
9.802 9.802 13.004 90 90 120 P-3c1 |
|
atom x y z occ |
|
Np1 .39964 .07624 .10161 |
|
F1 .1194 .3120 .0192 |
|
F2 .4143 .5330 .0524 |
|
F3 .6593 .1691 .1366 |
|
F4 .1931 .0853 .1591 |
|
F5 .1313 .4425 .2169 |
|
Fe1 0 0 .25 |
|
Na1 0 0 0 |
|
Na2 1/3 2/3 .1534 .5 |
|
Fe2 1/3 2/3 .1534 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
F13 Na Np3 |
| |
Cousson A, Abazli H, Pages M, Gasperin M |
 |
Acta Crystallographica C39 (1983) 318-320 |
|
Fluorure de neptunium et de sodium: Na Np3 F13 |
|
_cod_database_code 1001843 |
|
_database_code_amcsd 0009972 |
|
8.022 8.022 16.51299 90 90 120 P6_3/mmc |
|
atom x y z |
|
Np1 .1619 -.1619 .1129 |
|
Na1 1/3 2/3 .9104 |
|
F1 .1350 -.1350 .25 |
|
F2 .5385 -.5385 .8358 |
|
F3 .3305 0 0 |
|
F4 1/3 2/3 .0571 |
|
F5 0 0 .0862 |
|
F6 .1680 -.1680 .8521 |
|
F7 1/3 2/3 .75 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
F12 H2 Np3 O |
| |
Cousson A, Abazli H, Pages M, Gasperin M |
 |
Acta Crystallographica C39 (1983) 425-427 |
|
Tetrafluorure de Neptunium Hydrate, Np3 F12 1. 1H H2 O |
|
_cod_database_code 1001844 |
|
_database_code_amcsd 0009974 |
|
8.455 8.858 8.396 113.83 116.64 58.03 P1 |
|
atom x y z |
|
Np1 .15 .185 .685 |
|
Np2 .9440 .2298 .1070 |
|
Np3 .4016 .3803 .2242 |
|
Np4 .8475 .8135 .3134 |
|
Np5 .0574 .7243 .8802 |
|
Np6 .5670 .6070 .7299 |
|
F1 .178 .932 .086 |
|
F2 .936 .852 .129 |
|
F3 .166 .627 .354 |
|
F4 .065 .183 .395 |
|
F5 .538 .579 .443 |
|
F6 .985 .004 .508 |
|
F7 .696 .294 .191 |
|
F8 .232 .251 .224 |
|
F9 .830 .037 .889 |
|
F10 .060 .159 .884 |
|
F11 .836 .383 .651 |
|
F12 .911 .794 .597 |
|
F13 .481 .381 .538 |
|
F14 .297 .690 .797 |
|
F15 .777 .706 .760 |
|
F16 .342 .573 .074 |
|
F17 .703 .401 .903 |
|
F18 .609 .103 .292 |
|
F19 .357 .890 .679 |
|
F20 .657 .751 .023 |
|
F21 .379 .200 .954 |
|
F22 .890 .523 .25 |
|
F23 .127 .450 .703 |
|
F24 .073 .479 .979 |
|
O1 .563 .827 .341 |
|
O2 .452 .125 .634 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cs3 Nb5.96 O16.4 |
| |
Saine M, Gasperin M |
 |
Acta Crystallographica C39 (1983) 1153-1156 |
|
Synthese et Structure d'un Niobate de Cesium non Stoechiometrique, |
|
Cs3 Nb5.96 O16.4 |
|
_cod_database_code 1001255 |
|
_database_code_amcsd 0009983 |
|
18.315 24.506 7.296 90 90 90 Amam |
|
atom x y z occ |
|
Nb1 .08099 .11397 .24915 |
|
Nb2 .25 .57715 0 |
|
Nb3 0 0 0 |
|
Nb4 .08869 .86907 0 |
|
Nb5 .16522 .72453 0 |
|
Nb6 .25 .33381 .20729 .51 |
|
Nb7 .23709 .33539 .24895 .175 |
|
Nb8 .25 .34215 .28934 .1 |
|
Cs1 .25 .17463 .0282 .5 |
|
Cs2 .09713 .45458 0 |
|
Cs3 .04993 .27127 0 |
|
Cs4 .25 -.00615 0 |
|
O1 .1092 .1327 0 |
|
O2 .0478 .6119 0 |
|
O3 .0479 .0432 .1901 |
|
O4 -.0212 .1424 .1882 |
|
O5 .1758 .5896 .1928 |
|
O6 .1154 .6943 .1941 |
|
O7 .0810 .9466 0 |
|
O8 .25 .6726 0 |
|
O9 .25 .5074 0 |
|
O10 .1166 .7900 0 |
|
O11 .3264 .3744 .3013 |
|
O12 .25 .2631 .3158 |
|
O13 .2137 .3243 0 .4 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ba2Ti3Nb4O18 |
| |
Gasperin M |
 |
Acta Crystallographica C40 (1984) 9-11 |
|
Syntheses and Structure of a New Titanoniobate: The |
|
Trititanotetraniobate of Dibarium, Ba2Ti3Nb4O18 |
|
_cod_database_code 1001269 |
|
_database_code_amcsd 0009989 |
|
10.000 9.959 7.315 90 111.29 90 P2_1/c |
|
atom x y z occ |
|
Ba1 .20448 .08876 .06374 |
|
Nb1 .10467 .75127 .35107 |
|
Ti1 0 .5 0 |
|
Nb2 .5182 .2697 .5095 .5 |
|
Ti2 .5182 .2697 .5095 .5 |
|
Nb3 .3795 .0151 .6055 .5 |
|
Ti3 .3795 .0151 .6055 .5 |
|
O1 .4047 .0907 .8515 |
|
O2 .5814 .084 .6211 |
|
O3 .8074 .0709 .4761 |
|
O4 .9843 .0883 .2516 |
|
O5 .0697 .1617 .6458 |
|
O6 .3237 .1719 .4633 |
|
O7 .5096 .1626 .2545 |
|
O8 .7001 .1740 .0459 |
|
O9 .8990 .1688 .8755 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Np3F12H2O |
| |
Cousson A, Gasperin M |
 |
Acta Crystallographica C41 (1985) 804-805 |
|
Nouvelle description du tetrafluorure de neptunium hydrate, Np3F12H2O |
|
_cod_database_code 1001332 |
|
_database_code_amcsd 0010008 |
|
12.023 11.723 8.435 90 128.77 90 Cm |
|
atom x y z |
|
Np1 .1858 0 .337 |
|
Np2 .8141 0 .6628 |
|
Np3 .0534 .3277 .7845 |
|
Np4 -.0801 .6881 .1771 |
|
F1 .2599 .6748 .1118 |
|
F2 .2390 .6106 .7967 |
|
F3 .5369 .6474 .2615 |
|
F4 .4885 .8075 .9925 |
|
F5 .4877 .7641 .4868 |
|
F6 .2101 .8225 .8685 |
|
F7 .2599 .8855 .2148 |
|
F8 .9429 .8472 .7191 |
|
F9 .1408 .6170 .4113 |
|
F10 .3256 .8707 .5894 |
|
F11 .0048 0 .9988 |
|
F12 .5740 0 .9229 |
|
F13 .4019 0 .1113 |
|
F14 .4703 0 .5582 |
|
O1 .8434 0 .4040 |
|
O2 .1307 0 .5784 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cs0.75 K0.25 Nb O11 Ti U2 |
| |
Gasperin M |
 |
Acta Crystallographica C42 (1986) 136-138 |
|
(Cs.75 K.25) (Nb, Ti) U2 O11: un Niobotitanouranate Alcalin de |
|
Type Sructural Nouveau |
|
_cod_database_code 1001337 |
|
_database_code_amcsd 0010026 |
|
7.630 10.923 13.609 90 90 90 Amam |
|
atom x y z occ |
|
U1 .25 .22691 .2691 |
|
Nb1 0 0 .3692 .5 |
|
Ti1 0 0 .3692 .5 |
|
Cs1 0 0 0 .75 |
|
O1 0 .5 0 .75 |
|
O2 .0488 .3994 0 .125 |
|
O3 .25 .8161 .1248 |
|
O4 .25 .1397 .1502 |
|
O5 .25 .5413 .1467 |
|
O6 .0347 .3532 .1994 |
|
K1 .0188 .1584 0 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
CsNbUO6 |
| |
Gasperin M |
 |
Acta Crystallographica C43 (1987) 404-406 |
|
Synthese et structure du niobouranate de cesium:CsNbUO6 |
|
_cod_database_code 1001338 |
|
_database_code_amcsd 0010034 |
|
7.430 8.700 10.668 90 105.08 90 P2_1/c |
|
atom x y z |
|
U1 .01284 .98185 .32143 |
|
Nb1 .1135 .15138 .05572 |
|
Cs1 .5409 .2289 .86097 |
|
O1 .7722 .0231 .2677 |
|
O2 .7415 .059 .6279 |
|
O3 .9654 .0574 .8888 |
|
O4 .0314 .1464 .4937 |
|
O5 .3475 .1341 .0709 |
|
O6 .0751 .2132 .2216 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
B2 Ca O10 U2 |
| |
Gasperin M |
 |
Acta Crystallographica C43 (1987) 1247-1250 |
|
Synthese et structure du borouranate de calcium: Ca B2 U2 O10. |
|
_cod_database_code 1001347 |
|
_database_code_amcsd 0010039 |
|
16.512 8.169 6.582 90 96.97 90 C2 |
|
atom x y z occ |
|
U1 0 0 0 |
|
U2 0 .5001 0 |
|
U3 .12015 .0005 .55893 |
|
Ca1 .3370 -.0041 .4172 |
|
B1 .1966 -.0078 .0767 |
|
B2 .3032 .0004 .8386 |
|
O1 .1891 -.0044 .2788 |
|
O2 .4503 -.0129 .2290 |
|
O3 .2778 .0019 .0316 |
|
O4 .8673 .0067 .0725 |
|
O5 .3813 .0166 .8072 |
|
O6 .6076 .2768 .5421 |
|
O7 .0095 .0293 .3109 |
|
O8 .2507 .0399 .6747 |
|
O9 .1382 .217 .5818 |
|
O10 .0108 .2267 .0553 .5 |
|
O11 -.0107 .7694 -.0372 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
B2 O6 U |
| |
Gasperin M |
 |
Acta Crystallographica C43 (1987) 2031-2033 |
|
Structure du borate d'uranium U B2 O6 |
|
_cod_database_code 1001345 |
|
_database_code_amcsd 0010054 |
|
12.504 4.183 10.453 90 122.18 90 C2/c |
|
atom x y z |
|
U1 0 .2407 .25 |
|
B1 .3013 .1484 .2509 |
|
O1 .1026 .2433 .7562 |
|
O2 .2983 .1830 .7614 |
|
O3 .0893 .2439 .4487 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
B2 Mg O7 U |
| |
Gasperin M |
 |
Acta Crystallographica C43 (1987) 2264-2266 |
|
Synthese et structure du diborouranate de magnesium, Mg B2 U O7. |
|
_cod_database_code 1001360 |
|
_database_code_amcsd 0010060 |
|
9.747 7.315 7.911 90 90 90 Pcam |
|
atom x y z |
|
U1 .0501 .2255 .25 |
|
Mg1 .4519 .2353 .25 |
|
B1 .2135 .5318 .25 |
|
B2 .2581 .8739 .25 |
|
O1 .2685 .3623 .25 |
|
O2 .8686 .0169 .25 |
|
O3 .0484 .2278 .4764 |
|
O4 .0750 .5444 .25 |
|
O5 .7997 .3147 .25 |
|
O6 .6268 .0745 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
B Na O5 U |
| |
Gasperin M |
 |
Acta Crystallographica C44 (1988) 415-416 |
|
Synthese et structure du borouranate de sodium, Na B U O5. |
|
_cod_database_code 1001359 |
|
_database_code_amcsd 0010067 |
|
10.712 5.780 6.862 90 90 90 Pcam |
|
atom x y z |
|
U1 .0674 .0979 .25 |
|
Na1 .25 .5999 0 |
|
B1 .8519 .7967 .25 |
|
O1 .4123 .1288 .4173 |
|
O2 .6682 .1528 .25 |
|
O3 .2426 .3185 .25 |
|
O4 .4649 .6544 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
B4 Ni7 O16 U |
| |
Gasperin M |
 |
Acta Crystallographica C45 (1989) 981-983 |
|
Synthese et structure du tetraborouranate de nickel, Ni7 B4 U O16 |
|
_cod_database_code 1001392 |
|
_database_code_amcsd 0010077 |
|
5.861 20.200 4.501 90 90 90 Pmnn |
|
atom x y z |
|
U1 0 0 0 |
|
Ni1 0 .5 0 |
|
Ni2 0 .2628 .4996 |
|
Ni3 .2488 .1289 .4980 |
|
B1 0 .5874 .5528 |
|
B2 0 .1921 .051 |
|
O1 .1981 .2050 .2041 |
|
O2 0 .1765 .7455 |
|
O3 0 .3466 .2746 |
|
O4 .2911 .0510 .7846 |
|
O5 0 .0704 .2856 |
|
O6 0 .5859 .2499 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
LiBUO5 |
| |
Gasperin M |
 |
Acta Crystallographica C46 (1990) 372-374 |
|
Synthese et structure du borouranate de lithium LiBUO5 |
|
_database_code_amcsd 0010111 |
|
5.767 10.574 6.835 90 105.04 90 P2_1/c |
|
atom x y z Biso |
|
U .0985 .0654 .2710 .7 |
|
B .2167 .1441 .7976 .6 |
|
Li .5583 .2320 .6242 1.2 |
|
O1 .1519 .0847 .9532 .9 |
|
O2 .8521 .1734 .2128 1.3 |
|
O3 .1373 .0895 .6114 .9 |
|
O4 .6651 .0506 .6777 1.1 |
|
O5 .3506 .2427 .3302 .9 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
B2 O5 Th |
| |
Cousson A, Gasperin M |
 |
Acta Crystallographica C47 (1991) 10-12 |
|
Synthese et structure du borate de thorium: ThB2O5 |
|
_cod_database_code 1001443 |
|
_database_code_amcsd 0010246 |
|
11.545 6.937 10.263 90 101.5 90 C2/c |
|
atom x y z |
|
Th1 .1820 .2007 .3066 |
|
B1 .0232 .2677 .5038 |
|
B2 .3656 .1940 .1295 |
|
O1 .3162 .0290 .1924 |
|
O2 .1902 .1371 .8376 |
|
O3 .6441 .2463 .0343 |
|
O4 .0271 .1956 .1288 |
|
O5 .4660 .1748 .0895 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Bi K9 O24 U6 |
| |
Gasperin M, Rebizant J, Dancausse J, Meyer D, Cousson A |
 |
Acta Crystallographica C47 (1991) 2278-2279 |
|
Structure de K9BiU6O24 |
|
_cod_database_code 1001509 |
|
_database_code_amcsd 0010265 |
|
8.631 8.631 8.631 90 90 90 Pm3m |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
U1 .5 0 0 .70 .41 .41 0 0 0 |
|
U2 0 .5 .5 .51 .37 .37 0 0 0 |
|
Bi1 .5 .5 .5 .89 .89 .89 0 0 0 |
|
K1 .2478 .2478 .2478 1.5 1.5 1.5 .2 .2 .2 |
|
O1 .5 0 .254 1.6 1.7 .8 0 0 0 |
|
O2 .5 .232 .5 1.4 .9 1.4 0 0 0 |
|
O3 .282 0 0 1.0 1.8 1.8 0 0 0 |
|
K2 0 0 0 2.7 2.7 2.7 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
|
|   |
|
Vivianite |
 |
Fejdi P, Poullen J F, Gasperin M |
|   |
Bulletin de Mineralogie 103 (1980) 135-138 |
|
Affinement de la structure de la vivianite Fe3(PO4)2*8H2O |
|
Locality: synthetic |
|
_database_code_amcsd 0012069 |
|
10.086 13.441 4.703 90 104.27 90 C2/m |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Fe1 0 0 0 .7 .0011 .0015 .0087 0 .0005 0 |
|
Fe2 0 .3898 0 .7 .0015 .0012 .0089 0 .0014 0 |
|
P .3139 0 .3751 .8 .0015 .0015 .0093 0 .0012 0 |
|
O1 .1579 0 .3632 .9 .0012 .0022 .0099 0 .0010 0 |
|
O2 .3906 0 .6981 .8 .0020 .0014 .0084 0 .0002 0 |
|
O3 .3449 .0954 .2224 .9 .0020 .0012 .0124 0 .0021 .0005 |
|
Wat1 .1019 .1172 .7994 1.2 .0024 .0019 .0155 -.0001 .0019 .0001 |
|
Wat2 .3962 .2246 .7114 1.5 .0045 .0020 .0160 .0005 .0018 .0012 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Metavivianite |
 |
Dormann J, Gasperin M, Poullen J F |
|   |
Bulletin de Mineralogie 105 (1982) 147-160 |
|
Etude structurale de la sequence d'oxydation de la vivianite Fe3(PO4)2*8(H2O) |
|
_database_code_amcsd 0012078 |
|
7.84 9.11 4.67 95.04 96.94 107.72 P-1 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Fe1 0 0 0 .4 .0030 .0019 .0000 .0008 .0029 .0018 |
|
Fe2 .3708 .5921 .4908 .6 .0030 .0035 .0008 .0018 .0055 .0022 |
|
P .6906 .6717 .0456 .6 .0049 .0026 .0000 -.0016 .0007 .0006 |
|
O1 .2449 .4449 .1257 1.3 |
|
O2 .4521 .2831 .1439 .9 |
|
O3 .8490 .8192 .1651 1.3 |
|
Wat4 .9169 .1356 .2658 1.9 |
|
Wat5 .3736 .7891 .2952 1.8 |
|
Wat6 .2094 .0039 .2992 1.1 |
|
O7 .6135 .6050 .3098 .3 |
|
Wat8 .8525 .4076 .3337 1.9 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
CaTa2O6 |
| |
Gasperin M |
|   |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 83 (1960) 1-21 |
|
Contribution a l'etude de quelques oxydes doubles que forme le tantale |
|
avec l'etain, l'uranium et le calcium. |
|
_cod_database_code 1001184 |
|
_database_code_amcsd 0012110 |
|
3.875 3.875 3.875 90 90 90 Pm3m |
|
atom x y z occ |
|
O1 0 .5 .5 |
|
Ca1 0 0 0 .5 |
|
Ta1 .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
|
|   |
|
O3 Sn0.25 Ta |
| |
Gasperin M |
|   |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 83 (1960) 1-21 |
|
Contribution a l'etude de quelques oxydes doubles que forme le tantale |
|
avec l'etain, l'uranium et le calcium. |
|
_cod_database_code 1001185 |
|
_database_code_amcsd 0012111 |
|
3.88 3.88 3.88 90 90 90 Pm3m |
|
atom x y z occ |
|
O1 0 .5 .5 |
|
Sn1 0 0 0 .25 |
|
Ta1 .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
|
|   |
|
Ca0.91 O3 Ta0.84 |
| |
Gasperin M |
|   |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 83 (1960) 1-21 |
|
Contribution a l'etude de quelques oxydes doubles que forme le tantale |
|
avec l'etain, l'uranium et le calcium. |
|
_cod_database_code 1001186 |
|
_database_code_amcsd 0012112 |
|
3.96 3.96 3.96 90 90 90 Pm3m |
|
atom x y z occ |
|
O1 0 .5 .5 |
|
Ca1 0 0 0 .91 |
|
Ta1 .5 .5 .5 .84 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Uranmicrolite |
 |
Gasperin M |
|   |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 83 (1960) 1-21 |
|
Contribution a l'etude de quelques oxydes doubles que forme le tantale |
|
avec l'etain, l'uranium et le calcium. |
|
_cod_database_code 1001776 |
|
_database_code_amcsd 0012113 |
|
10.37 10.37 10.37 90 90 90 Fd3m |
|
atom x y z occ |
|
Ta1 .125 .125 .125 |
|
U1 .625 .625 .625 .5 |
|
O1 .5 .5 .5 |
|
O2 .20 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
|
|   |
|
Oxystannomicrolite |
| |
Gasperin M |
|   |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 83 (1960) 1-21 |
|
Contribution a l'etude de quelques oxydes doubles que forme le tantale |
|
avec l'etain, l'uranium et le calcium. |
|
_cod_database_code 1001840 |
|
_database_code_amcsd 0012114 |
|
10.470 10.470 10.470 90 90 90 Fd3m |
|
atom x y z |
|
Ta .125 .125 .125 |
|
Sn .625 .625 .625 |
|
O1 .5 .5 .5 |
|
O2 .2 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
|
|   |
|
Cl2 O4 Pb4 |
| |
Gasperin M |
|   |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 87 (1964) 278-280 |
|
Sur la synthese d'un oxychlorure de plomb |
|
_cod_database_code 1001200 |
|
_database_code_amcsd 0012116 |
|
3.91 3.91 13. 90 90 90 I4/mmm |
|
atom x y z |
|
Pb1 0 0 .150 |
|
O1 0 .5 .25 |
|
Cl1 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
|
|   |
|
Ba5.5 O60 Ta21.8 |
| |
Gasperin M |
|   |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 90 (1967) 172-175 |
|
Structure cristalline du bronze de tungstene: Ba O (Ta2 O5)2 |
|
_cod_database_code 1001160 |
|
_database_code_amcsd 0012124 |
|
17.60 17.60 3.905 90 90 90 P4 |
|
atom x y z occ |
|
Ba1 .075 .254 0 .55 |
|
Ba2 .425 .254 0 .55 |
|
Ba3 0 0 0 .55 |
|
Ba4 .5 .5 0 .55 |
|
Ta1 .252 .249 .5 |
|
Ta2 .143 .067 .5 |
|
Ta3 .365 .43 .5 |
|
Ta4 .432 .86 .5 |
|
Ta5 .068 .638 .5 |
|
Ta6 .075 .25 .5 .225 |
|
Ta7 .426 .25 .5 .225 |
|
O1 .251 .25 0 |
|
O2 .362 .436 0 |
|
O3 .434 .861 0 |
|
O4 .152 .058 0 |
|
O5 .058 .638 0 |
|
O6 .051 .098 .5 |
|
O7 .172 .177 .5 |
|
O8 .458 .122 .5 |
|
O9 .533 .249 .5 |
|
O10 .675 .17 .5 |
|
O11 .249 .031 .5 |
|
O12 .325 .177 .5 |
|
O13 .67 .33 .5 |
|
O14 .597 .033 .5 |
|
O15 .469 .388 .5 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
O5 U V |
| |
Chevalier R, Gasperin M |
|   |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 93 (1970) 18-22 |
|
Structure cristalline de U V O5 |
|
_cod_database_code 1001150 |
|
_database_code_amcsd 0012130 |
|
12.31 7.19 4.115 90 90 90 Pbma |
|
atom x y z |
|
U1 .0273 .25 .0137 |
|
V1 .75 0 .1134 |
|
O1 .029 .25 .511 |
|
O2 .25 0 .513 |
|
O3 .717 .25 .026 |
|
O4 .599 .538 .008 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Aeschynite-(La) |
| |
Fauquier D, Gasperin M |
|   |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 93 (1970) 258-259 |
|
Synthese de monocristaux et etude structurale de La Nb Ti O6 |
|
_cod_database_code 1001722 |
|
_database_code_amcsd 0012132 |
|
10.934 7.572 5.446 90 90 90 Pnma |
|
atom x y z occ |
|
La1 .0421 .25 .5403 |
|
Nb1 .1445 -.0057 .0362 .5 |
|
Ti1 .1445 -.0057 .0362 .5 |
|
O1 -.026 .033 .228 |
|
O2 .21 .051 .374 |
|
O3 .144 .25 -.019 |
|
O4 .128 -.25 .126 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Cl Na O3 |
| |
Meyer D, Gasperin M |
|   |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 96 (1973) 18-20 |
|
Etude Structurale d'une Phase haute Temperature instable du Chlorate de Sodium |
|
_cod_database_code 1001127 |
|
_database_code_amcsd 0012136 |
|
8.78 5.17 6.88 90 110. 90 P2_1/a |
|
atom x y z |
|
Cl1 .023 .230 .176 |
|
Na1 .311 .784 .299 |
|
O1 .103 .029 .350 |
|
O2 .349 .338 .084 |
|
O3 .051 .431 .252 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
SnTaO3 |
| |
Gasperin M |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 240 (1955) 2340-2342 |
|
Synthese et identification de deux oxydes doubles de tantale et d'etain |
|
Sample: synthetic |
|
_database_code_amcsd 0012245 |
|
3.880 3.880 3.880 90 90 90 Pd3m |
|
atom x y z |
|
Sn 0 0 0 |
|
Ta .5 .5 .5 |
|
O1 0 .5 .5 |
|
O2 .5 0 .5 |
|
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
|
|   |
|
Microlite |
 |
Gasperin M |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 240 (1955) 2340-2342 |
|
Synthese et identification de deux oxydes doubles de tantale et d'etain |
|
Sample: synthetic |
|
_database_code_amcsd 0012246 |
|
10.37 10.37 10.37 90 90 90 Fd-3m |
|
atom x y z |
|
Ca .625 .625 .625 |
|
Ta .125 .125 .125 |
|
O1 .5 .5 .5 |
|
O2 .20 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
|
|   |
|
Cd2Nb2O7 |
| |
Gasperin M |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 240 (1955) 2340-2342 |
|
Synthese et identification de deux oxydes doubles de tantale et d'etain |
|
Sample: synthetic |
|
_database_code_amcsd 0012247 |
|
10.37 10.37 10.37 90 90 90 Fd-3m |
|
atom x y z |
|
Cd .625 .625 .625 |
|
Nb .125 .125 .125 |
|
O1 .5 .5 .5 |
|
O2 .20 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
|
|   |
|
Cd2Ta2O7 |
| |
Gasperin M |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 240 (1955) 2340-2342 |
|
Synthese et identification de deux oxydes doubles de tantale et d'etain |
|
Sample: synthetic |
|
_database_code_amcsd 0012248 |
|
10.38 10.38 10.38 90 90 90 Fd-3m |
|
atom x y z |
|
Cd .625 .625 .625 |
|
Ta .125 .125 .125 |
|
O1 .5 .5 .5 |
|
O2 .20 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
|
|   |
|
Oxystannomicrolite |
| |
Gasperin M |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 240 (1955) 2340-2342 |
|
Synthese et identification de deux oxydes doubles de tantale et d'etain |
|
Sample: synthetic |
|
_database_code_amcsd 0012249 |
|
10.48 10.48 10.48 90 90 90 Fd-3m |
|
atom x y z |
|
Sn .625 .625 .625 |
|
Ta .125 .125 .125 |
|
O1 .5 .5 .5 |
|
O2 .20 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
|
|   |
|
Bindheimite |
 |
Gasperin M |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 240 (1955) 2340-2342 |
|
Synthese et identification de deux oxydes doubles de tantale et d'etain |
|
Sample: synthetic |
|
_database_code_amcsd 0012250 |
|
10.40 10.40 10.40 90 90 90 Fd-3m |
|
atom x y z |
|
Sb .125 .125 .125 |
|
Pb .625 .625 .625 |
|
O1 .5 .5 .5 |
|
O2 .20 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
|
|   |
|
Cd2 Nb2 O7 |
| |
Gasperin M |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 240 (1955) 2340-2342 |
|
Synthese et identification de deux oxydes doubles de tantale et d'etain. |
|
_cod_database_code 1001178 |
|
_database_code_amcsd 0012251 |
|
10.37 10.37 10.37 90 90 90 Fd3m |
|
atom x y z |
|
Nb1 .125 .125 .125 |
|
Cd1 .625 .625 .625 |
|
O1 .5 .5 .5 |
|
O2 .20 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
|
|   |
|
Cd2 O7 Ta2 |
| |
Gasperin M |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 240 (1955) 2340-2342 |
|
Synthese et identification de deux oxydes doubles de tantale et d'etain. |
|
_cod_database_code 1001179 |
|
_database_code_amcsd 0012252 |
|
10.38 10.38 10.38 90 90 90 Fd3m |
|
atom x y z |
|
Ta1 .125 .125 .125 |
|
Cd1 .625 .625 .625 |
|
O1 .5 .5 .5 |
|
O2 .20 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
|
|   |
|
Sukulaite |
| |
Gasperin M |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 240 (1955) 2340-2342 |
|
Synthese et identification de deux oxydes doubles de tantale et d'etain |
|
_cod_database_code 1001775 |
|
_database_code_amcsd 0012253 |
|
3.880 3.880 3.880 90 90 90 Pm3m |
|
atom x y z |
|
Sn1 0 0 0 |
|
Ta1 .5 .5 .5 |
|
O1 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
|
|   |
|
Uranmicrolite |
 |
Gasperin M |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 243 (1956) 1534-1536 |
|
Synthese et identification d'un oxyde double de tantale et d'uranium. |
|
_cod_database_code 1001777 |
|
_database_code_amcsd 0012254 |
|
10.37 10.37 10.37 90 90 90 Fd3m |
|
atom x y z |
|
Ta1 .125 .125 .125 |
|
U1 .625 .625 .625 |
|
O1 .5 .5 .5 |
|
O2 .20 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
|
|   |
|
Nb3 O10 U |
| |
Chevalier R, Gasperin M |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 267 (1968) 481-483 |
|
Structure cristalline de l'oxyde double U Nb3 O10 |
|
_cod_database_code 1001174 |
|
_database_code_amcsd 0012275 |
|
7.38 12.78 15.96 90 90 90 Fddd |
|
atom x y z |
|
U1 0 0 0 |
|
Nb1 0 0 .5 |
|
Nb2 0 0 .258 |
|
O1 .283 .1 -.002 |
|
O2 0 0 .38 |
|
O3 0 0 .117 |
|
O4 0 .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
|
|   |
|
UTiNb2O10 |
| |
Chevalier R, Gasperin M |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 268 (1969) 1426-1428 |
|
Synthese en monocristaux et structure cristalline de l'oxyde UTiNb2O10 |
|
_cod_database_code 1001143 |
|
_database_code_amcsd 0012277 |
|
7.28 12.62 16.02 90 90 90 Fddd |
|
atom x y z |
|
U1 0 0 0 |
|
Ti1 0 0 .5 |
|
Nb1 0 0 .265 |
|
O1 .303 .101 -.001 |
|
O2 0 0 .378 |
|
O3 0 0 .112 |
|
O4 0 .198 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
H4 N4 S28 |
| |
Fernandez H, Gasperin M, Freymann R |
|   |
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 292 (1981) 1393-1396 |
|
Cristallochimie - etude structurale, chimique et par spectrographie |
|
infrarouge du complexe par transfert de charge (S8)3 (S4 (N H)4) |
|
_cod_database_code 1001851 |
|
_database_code_amcsd 0012296 |
|
8.440 13.034 8.203 90 112.49 90 P2/n |
|
atom x y z occ |
|
S1 .4577 .8935 .1504 .875 |
|
N1 .4577 .8935 .1504 .125 |
|
S2 .1193 .7976 .1992 .875 |
|
N2 .1193 .7976 .1992 .125 |
|
S3 -.0224 .0308 .2203 .875 |
|
N3 -.0224 .0308 .2203 .125 |
|
S4 .3193 .1271 .1702 .875 |
|
N4 .3193 .1271 .1702 .125 |
|
S5 .8401 .5793 .0292 .875 |
|
N5 .8401 .5793 .0292 .125 |
|
S6 .7130 .4430 -.0322 .875 |
|
N6 .7130 .4430 -.0322 .125 |
|
S7 .8239 .3458 .1757 .875 |
|
N7 .8239 .3458 .1757 .125 |
|
S8 .6996 .6769 .1156 .875 |
|
N8 .6996 .6769 .1156 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Vermiculite |
 |
de la Calle C, Pezerat H, Gasperin M |
|   |
Journal de Physique 38 (1977) 128-133 |
|
Problemes d'ordre-desordre dans les vermiculites structure du mineral |
|
calcique hydrate a 2 couches |
|
_cod_database_code 1001031 |
|
_database_code_amcsd 0012759 |
|
5.351 9.262 15.03 90 96.83 90 C2/m |
|
atom x y z occ |
|
Si1 .394 .167 .183 .691 |
|
Al1 .394 .167 .183 .294 |
|
Fe1 .394 .167 .183 .015 |
|
Mg1 0 .167 0 .674 |
|
Al2 0 .167 0 .168 |
|
Fe2 0 .167 0 .021 |
|
Fe3 0 .167 0 .028 |
|
Ti1 0 .167 0 .014 |
|
Mg2 0 .5 0 .674 |
|
Al3 0 .5 0 .168 |
|
Fe4 0 .5 0 .021 |
|
Fe5 0 .5 0 .028 |
|
Ti2 0 .5 0 .014 |
|
O1 .855 0 .064 |
|
O2 .353 .167 .077 |
|
O3 .138 .231 .222 |
|
O4 .444 0 .216 |
|
Ca1 0 .333 .5 .115 |
|
Ca2 0 .036 .5 .1 |
|
O5 .12 .141 .4 .22 |
|
O6 .27 .355 .408 .11 |
|
O7 .45 .5 .342 .2 |
|
O8 .45 0 .49 .2 |
|
O9 .27 .228 .41 .15 |
|
O10 .125 .5 .391 .22 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Al11 Gd0.46 La0.43 Mg0.635 O18.46 |
| |
Salem Y, Linares C, Jacquier B, Saine M, Gasperin M, Lejus A, Vivien D |
|   |
Journal of Chemical Physics 93 (1990) 7076-7084 |
|
The sites of Gd^3+^ in the luminescent matrix La1-xGdxMgAl11O19: |
|
single crystal structure determination and site-selective excitation of Gd^3+^ |
|
_cod_database_code 1001462 |
|
_database_code_amcsd 0013019 |
|
5.565 5.565 21.89 90 90 120 P6_3/mmc |
|
atom x y z occ |
|
La1 2/3 1/3 .25 .43 |
|
Gd1 .6727 .3755 .25 .077 |
|
Al1 0 0 0 .917 |
|
Mg1 0 0 0 .053 |
|
Al2 1/3 2/3 .0273 .917 |
|
Mg2 1/3 2/3 .0273 .053 |
|
Al3 1/3 2/3 .1901 .917 |
|
Mg3 1/3 2/3 .1901 .053 |
|
Al4 .8322 .6644 .1085 .917 |
|
Mg4 .8322 .6644 .1085 .053 |
|
Al5 0 0 .2419 .458 |
|
Mg5 0 0 .2419 .026 |
|
O1 .1994 .3632 .25 .47 |
|
O2 .1532 .3064 .0533 |
|
O3 .5053 .0106 .1515 .94 |
|
O4 0 0 .1511 |
|
O5 2/3 1/3 .0578 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
La3 O8 Re |
| |
Baud G, Besse J, Chevalier R, Gasperin M |
|   |
Journal of Solid State Chemistry 29 (1979) 267-272 |
|
Structure cristalline de La3 Re O8 |
|
_cod_database_code 1001841 |
|
_database_code_amcsd 0013369 |
|
17.53499 11.889 12.816 90 90.0 90 C2_1 |
|
atom x y z |
|
Re1 .6228 .0014 .0601 |
|
Re2 .1261 .0004 .0369 |
|
Re3 .6235 .2538 .4117 |
|
Re4 .6236 .7495 .4104 |
|
La1 .6282 .0036 .6357 |
|
La2 .6233 .5020 .6219 |
|
La3 .6253 .2654 .8350 |
|
La4 .7341 .2383 .1150 |
|
La5 .0152 .2358 .1034 |
|
La6 .7505 .0079 .3662 |
|
La7 .0086 .0094 .3546 |
|
La8 .7312 .4986 .3349 |
|
La9 .0217 .4978 .3356 |
|
La10 .7666 .2380 .6189 |
|
La11 .6244 .7338 .8314 |
|
La12 .0115 .7610 .1176 |
|
O1 .5156 .9804 .0624 |
|
O2 .7275 .006 .0539 |
|
O3 .6349 -.0207 .2087 |
|
O4 .6178 -.0237 .918 |
|
O5 .626 .153 .0195 |
|
O6 .6164 .838 .0546 |
|
O7 .0148 .0021 .029 |
|
O8 .2342 -.0044 .0312 |
|
O9 .1107 .0328 .1812 |
|
O10 .1329 -.0183 .8871 |
|
O11 .142 .145 0 |
|
O12 .1292 .8566 .0839 |
|
O13 .519 .2861 .4151 |
|
O14 .7329 .261 .4138 |
|
O15 .6207 .237 .5677 |
|
O16 .6241 .2735 .263 |
|
O17 .6349 .3996 .4585 |
|
O18 .6178 .1025 .415 |
|
O19 .516 .7894 .4229 |
|
O20 .7357 .77 .4252 |
|
O21 .63 .7243 .5581 |
|
O22 .6199 .7345 .27 |
|
O23 .6335 .9 .3902 |
|
O24 .6293 .595 .4116 |
|
O25 .8003 .1249 .2341 |
|
O26 .9400 .1249 .2400 |
|
O27 .7974 .8762 .2432 |
|
O28 .9500 .8766 .2490 |
|
O29 .2960 .8770 .2200 |
|
O30 .4564 .8726 .2203 |
|
O31 .2910 .1248 .2244 |
|
O32 .4533 .1248 .2300 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Rb4Nb6O17*(H2O)3 |
| |
Gasperin M, le Bihan M |
|   |
Journal of Solid State Chemistry 33 (1980) 83-89 |
|
Un niobate de rubidium d'un type structural nouveau: Rb4Nb6O17*(H2O)3 |
|
_cod_database_code 1001089 |
|
_database_code_amcsd 0013385 |
|
7.83 39.06 6.57 90 90 90 Pmnb |
|
atom x y z |
|
Nb1 -.0031 .1824 .1039 |
|
Nb2 -.0109 .1424 .6599 |
|
Nb3 .25 .1167 .0366 |
|
Nb4 .25 .0780 .5817 |
|
Rb1 .25 .2238 .5500 |
|
Rb2 .75 .2230 .5411 |
|
Rb3 .75 .0920 .2185 |
|
Rb4 .25 .0107 .0754 |
|
O1 .0396 .2239 .1783 |
|
O2 .0048 .1638 .4065 |
|
O3 .4860 .0933 .5976 |
|
O4 .0032 .1862 .8031 |
|
O5 .0130 .1308 .9917 |
|
O6 .25 .1366 .7096 |
|
O7 .75 .1398 .7089 |
|
O8 .25 .0772 .8834 |
|
O9 .75 .1793 .1104 |
|
O10 .25 .1708 .1229 |
|
O11 .25 .0329 .4972 |
|
O12 .25 .0958 .3142 |
|
O13 .5508 .0183 .2638 |
|
O14 .75 .0564 .7599 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K4 Nb6 O17 |
| |
Gasperin M, le Bihan M |
|   |
Journal of Solid State Chemistry 43 (1982) 346-353 |
|
Mecanisme d'hydratation des niobates alcalins lamellaires de formule |
|
A4Nb4O17 (A=K,Rb,Cs) |
|
_cod_database_code 1001842 |
|
_database_code_amcsd 0013485 |
|
7.83 33.20999 6.46 90 90 90 P2_1nb |
|
atom x y z |
|
Nb1 0 .1741 .2017 |
|
Nb2 .0078 .8259 .7941 |
|
Nb3 -.0011 .1252 .7558 |
|
Nb4 .0147 .8728 .2325 |
|
Nb5 .2617 .0954 .1369 |
|
Nb6 .2614 .0499 .6802 |
|
K1 .2484 .2209 .6511 |
|
K2 .7509 .2177 .6453 |
|
K3 .7499 .0819 .3339 |
|
K4 .7542 .0214 .7948 |
|
O1 .0431 .2219 .2783 |
|
O2 .4862 .2279 .2786 |
|
O3 .0131 .1445 .4976 |
|
O4 .5189 .1536 .5162 |
|
O5 .0228 .0680 .6711 |
|
O6 .5142 .0683 .7100 |
|
O7 .0053 .1783 .9048 |
|
O8 .5091 .1902 .9157 |
|
O9 .0189 .1099 .0918 |
|
O10 .4885 .1026 .0729 |
|
O11 .2599 .1209 .8112 |
|
O12 .7567 .1169 .7814 |
|
O13 .2354 .0426 .9830 |
|
O14 .75 .1676 .2327 |
|
O15 .239 .1561 .2230 |
|
O16 .2758 .996 .6252 |
|
O17 .278 .0737 .3874 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Nb2 O7 Ti |
| |
Gasperin M |
|   |
Journal of Solid State Chemistry 53 (1984) 144-147 |
|
Affinement de la structure de Ti Nb2 O7 et repartition des cations |
|
_cod_database_code 1001270 |
|
_database_code_amcsd 0013526 |
|
20.351 3.801 11.882 90 120.19 90 C2/m |
|
atom x y z occ |
|
Nb1 0 0 0 .6667 |
|
Ti1 0 0 0 .3333 |
|
Nb2 .1856 0 .0060 .6667 |
|
Ti2 .1856 0 .0060 .3333 |
|
Nb3 .0786 0 .6368 .6667 |
|
Ti3 .0786 0 .6368 .3333 |
|
Nb4 .8889 0 .6307 .6667 |
|
Ti4 .8889 0 .6307 .3333 |
|
Nb5 .2931 0 .3976 .6667 |
|
Ti5 .2931 0 .3976 .3333 |
|
O1 .1738 0 .5859 |
|
O2 .3730 0 .5800 |
|
O3 .5967 0 .6210 |
|
O4 .7909 0 .6188 |
|
O5 .2508 0 .1973 |
|
O6 .7094 0 .0022 |
|
O7 .8996 0 .9863 |
|
O8 .0250 0 .4188 |
|
O9 .8753 0 .1885 |
|
O10 .5 0 0 |
|
O11 .0495 0 .1979 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Al11 La Mn O19 |
| |
Gasperin M, Saine M, Kahn A, LaVille F, Lejus A |
|   |
Journal of Solid State Chemistry 54 (1984) 61-69 |
|
Influence of M^2+^ ions substitution on the structure of lanthanum |
|
hexaaluminates with magnetoplumbite structure |
|
_cod_database_code 1001258 |
|
_database_code_amcsd 0013530 |
|
5.574 5.574 22.008 90 90 120 P6_3/mmc |
|
atom x y z occ |
|
La1 .6676 .3552 .25 .14 |
|
La2 .7373 .4746 .25 .05 |
|
Al1 0 0 0 |
|
Al2 1/3 2/3 .0275 .5 |
|
Mn1 1/3 2/3 .0275 .5 |
|
Al3 1/3 2/3 .1899 |
|
Al4 0 0 .2399 .5 |
|
Al5 .8328 .6656 .1083 |
|
O1 .1811 .3622 .25 |
|
O2 .1539 .3078 .0526 |
|
O3 .5056 .0112 .1501 |
|
O4 0 0 .1492 |
|
O5 2/3 1/3 .0568 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Al11.95 La0.9 O18.9 |
| |
Gasperin M, Saine M, LaVille F, Lejus A, Kahn A |
|   |
Journal of Solid State Chemistry 54 (1984) 61-69 |
|
Influence of M^2+^ ions substitution on the structure of lanthanum |
|
hexaaluminates with magnetoplumbite structure |
|
_cod_database_code 1001259 |
|
_database_code_amcsd 0013531 |
|
5.577 5.577 22.003 90 90 120 P6_3/mmc |
|
atom x y z occ |
|
La1 .677 .323 .25 .3 |
|
Al1 0 0 0 |
|
Al2 1/3 2/3 .0265 |
|
Al3 1/3 2/3 .1894 |
|
Al4 .8325 .665 .1079 |
|
Al5 0 0 .2382 .44 |
|
O1 .1853 .3706 .25 |
|
O2 .153 .306 .0536 |
|
O3 .5034 .0068 .1505 |
|
O4 0 0 .1500 |
|
O5 2/3 1/3 .0571 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Al11.5 La0.85 O18.5 |
| |
Gasperin M, Saine M, LaVille F, Lejus A, Kahn A |
|   |
Journal of Solid State Chemistry 54 (1984) 61-69 |
|
Influence of M^2+^ ions substitution on the structure of lanthanum |
|
hexaaluminates with magnetoplumbite structure |
|
_cod_database_code 1001260 |
|
_database_code_amcsd 0013532 |
|
5.55 5.55 22.021 90 90 120 P6_3/mmc |
|
atom x y z occ |
|
La1 2/3 1/3 .25 .56 |
|
La2 .7208 .4416 .25 .09 |
|
Al1 0 0 0 |
|
Al2 1/3 2/3 .0270 |
|
Al3 1/3 2/3 .1899 |
|
Al4 .8308 .6616 .1077 .95 |
|
Al5 0 0 .2388 .42 |
|
O1 .2017 .3631 .25 .42 |
|
O2 .1621 .3115 .0519 .5 |
|
O3 .5047 .0094 .1502 |
|
O4 0 0 .1481 |
|
O5 2/3 1/3 .0552 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Al11.55 La0.85 O18.6 |
| |
Gasperin M, Saine M, LaVille F, Lejus A, Kahn A |
|   |
Journal of Solid State Chemistry 54 (1984) 61-69 |
|
Influence of M^2+^ ions substitution on the structure of lanthanum |
|
hexaaluminates with magnetoplumbite structure |
|
_cod_database_code 1001261 |
|
_database_code_amcsd 0013533 |
|
5.55 5.55 22.031 90 90 120 P6_3/mmc |
|
atom x y z occ |
|
La1 2/3 1/3 .25 .55 |
|
La2 .7170 .434 .25 .1 |
|
Al1 0 0 0 |
|
Al2 1/3 2/3 .0269 |
|
Al3 1/3 2/3 .1899 |
|
Al4 .8324 .6648 .1076 .952 |
|
Al5 0 0 .2386 .41 |
|
O1 .2009 .3623 .25 .437 |
|
O2 .1634 .3121 .0518 .5 |
|
O3 .5034 .0068 .1501 |
|
O4 0 0 .1481 |
|
O5 2/3 1/3 .0554 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Na2UO4 |
| |
Gasperin M |
|   |
Journal of Solid State Chemistry 60 (1985) 316-319 |
|
Synthese en monocristaux et structure du monouranate de sodium beta-Na2UO4 |
|
_cod_database_code 1001339 |
|
_database_code_amcsd 0013565 |
|
5.802 5.969 11.699 90 90 90 Fmmm |
|
atom x y z occ |
|
U1 0 0 0 |
|
Na1 0 .0496 .3377 .5 |
|
O1 .1065 .0339 .1532 .25 |
|
O2 .2049 .2916 .0470 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Al11 La Ni O19 |
| |
Laville F, Perrin M, Lejus A, Gasperin M, Moncorge R, Vivien D |
|   |
Journal of Solid State Chemistry 65 (1986) 301-308 |
|
Synthesis, crystal growth, structural determination, and optical |
|
absorption spectroscopy of the magnetoplumbite type compound LaNiAl11O19 |
|
_cod_database_code 1001680 |
|
_database_code_amcsd 0013587 |
|
5.57 5.57 22.00999 90 90 120 P6_3/mmc |
|
atom x y z occ |
|
La1 2/3 1/3 .25 .76 |
|
La2 .7199 .4398 .25 .08 |
|
Al1 0 0 0 .67 |
|
Al2 1/3 2/3 .0274 .67 |
|
Al3 1/3 2/3 .1897 |
|
Al4 .8318 .6637 .1078 |
|
Al5 0 0 .2391 .5 |
|
O1 .1815 .3631 .25 |
|
O2 .154 .3081 .0523 |
|
O3 .5043 .0086 .1502 |
|
O4 0 0 .1488 |
|
O5 2/3 1/3 .0562 |
|
Ni1 0 0 0 .33 |
|
Ni2 1/3 2/3 .0274 .33 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Na O11 V6 |
| |
De Roy M, Besse J, Chevalier R, Gasperin M |
|   |
Journal of Solid State Chemistry 67 (1987) 185-189 |
|
Synthese et structure cristalline de Na V6 O11 |
|
_cod_database_code 1001687 |
|
_database_code_amcsd 0013596 |
|
5.699 5.699 13.07 90 90 120 P-62c |
|
atom x y z occ |
|
V1 .5050 .0135 0 .5 |
|
V2 1/3 2/3 .25 |
|
V3 0 0 .1477 |
|
Na1 2/3 1/3 .25 |
|
O1 .3408 .173 .0804 |
|
O2 .147 .3051 .25 |
|
O3 1/3 2/3 .0902 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
TlNb2U2O11.5 |
| |
Gasperin M |
|   |
Journal of Solid State Chemistry 67 (1987) 219-224 |
|
Synthese et structure de trois niobouranates d'ions monovalents: |
|
TlNb2U2O11.5, KNbUO6, et RbNbUO6 |
|
_cod_database_code 1001355 |
|
_database_code_amcsd 0013597 |
|
7.713 10.329 13.947 90 90 90 Pmnb |
|
atom x y z occ |
|
U1 .25 .2046 .2105 |
|
U2 .25 .8353 .7612 |
|
Nb1 .4992 .4609 .1090 |
|
Tl1 .0200 .8685 .0418 .5 |
|
O1 .25 .1089 .1045 |
|
O2 .25 .4047 .1178 |
|
O3 .25 .4343 .6356 |
|
O4 .5306 .2903 .1715 |
|
O5 .25 .5020 .8590 |
|
O6 .25 .2321 .8386 |
|
O7 .25 .8013 .1855 |
|
O8 .0349 .5791 .2195 |
|
O9 .0505 .6133 .0197 .75 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
KNbUO6 |
| |
Gasperin M |
|   |
Journal of Solid State Chemistry 67 (1987) 219-224 |
|
Synthese et structure de trois niobouranates d'ions monovalents: |
|
TlNb2U2O11.5, KNbUO6, et RbNbUO6 |
|
_cod_database_code 1001356 |
|
_database_code_amcsd 0013598 |
|
7.579 11.321 15.259 90 90 90 Pcab |
|
atom x y z occ |
|
U1 .1248 .0228 .2593 |
|
Nb1 .3857 .7499 .1453 |
|
K1 .3651 .2494 .0912 .64 |
|
K2 .3625 .0742 .0200 .36 |
|
O1 .6287 .0564 .1422 |
|
O2 .1240 .1047 .1614 |
|
O3 .1228 .7068 .1630 |
|
O4 .3370 .9032 .2020 |
|
O5 .9148 .8977 .2074 |
|
O6 .3645 .7421 .0340 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Al11 Fe La0.96 O19 |
| |
Tronc E, Laville F, Gasperin M, Lejus A, Vivien D |
|   |
Journal of Solid State Chemistry 81 (1989) 192-202 |
|
Structural and Spectroscopic Investigations of LaFeAl11O19 Compounds |
|
_cod_database_code 1001416 |
|
_database_code_amcsd 0013661 |
|
5.586 5.586 22.017 90 90 120 P6_3/mmc |
|
atom x y z occ |
|
La1 2/3 1/3 .25 .83 |
|
La2 .7241 .4481 .25 .045 |
|
Al1 0 0 0 .95 |
|
Fe1 0 0 0 .05 |
|
Al2 1/3 2/3 .0275 .75 |
|
Fe2 1/3 2/3 .0275 .25 |
|
Al3 1/3 2/3 .1898 .92 |
|
Fe3 1/3 2/3 .1898 .08 |
|
Al4 .8322 .6643 .1082 .95 |
|
Fe4 .8322 .6643 .1082 .05 |
|
Al5 0 0 .2404 .5 |
|
O1 .1819 .3638 .25 |
|
O2 .1527 .3053 .0529 |
|
O3 .5044 .0087 .1504 |
|
O4 0 0 .1497 |
|
O5 2/3 1/3 .0576 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Co F6 H6 Np O3 |
| |
Abazli H, Cousson A, Jove J, Pages M, Gasperin M |
|   |
Journal of the Less-Common Metals 96 (1984) 23-33 |
|
Les composes Co Np F6 (H2 O)3 et Co U F6 (H2 O)3. Etude |
|
structurale, mesur des susceptibilites magnetiques et resonance |
|
Moessbauer (237 Np) |
|
_cod_database_code 1001329 |
|
_database_code_amcsd 0014149 |
|
12.119 6.908 7.928 90 92.84 90 C2 |
|
atom x y z |
|
Np1 0 0 0 |
|
Np2 0 .0373 .5 |
|
Co1 .2497 .2691 .2476 |
|
F1 .0611 .1623 .7517 |
|
F2 .1677 .1641 .4457 |
|
F3 .1253 .2327 .0833 |
|
F4 .3868 .3071 .4109 |
|
F5 .3313 .3715 .0505 |
|
F6 .5745 .3930 .262 |
|
O1 .1843 .4857 .8098 |
|
O2 .3184 .0289 .6844 |
|
O3 0 .3962 .5 |
|
O4 0 .6229 0 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
O8 Pb Re2 |
| |
Picard J, Baud G, Besse J, Chevalier R, Gasperin M |
|   |
Journal of the Less-Common Metals 96 (1984) 171-176 |
|
Structure cristalline du perrhenate de plomb Pb (Re O4)2 |
|
_cod_database_code 1001328 |
|
_database_code_amcsd 0014150 |
|
11.276 11.276 4.593 90 90 120 P31m |
|
atom x y z |
|
Re1 .3805 0 -.0171 |
|
Re2 .7128 0 .4828 |
|
Pb1 0 0 0 |
|
Pb2 1/3 2/3 .4708 |
|
O1 .2268 0 .1188 |
|
O2 .5219 .1400 .0893 |
|
O3 .7274 0 .1215 |
|
O4 .7147 .1554 .6109 |
|
O5 .8504 0 .6065 |
|
O6 .3947 0 .6066 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
CoNp2F10(H2O)8 |
| |
Cousson A, Abazli H, Jove J, Gasperin M |
|   |
Journal of the Less-Common Metals 109 (1985) 155-168 |
|
Synthese et etude structurale des composes CoNp2F10(H2O)8 |
|
et CuNp2F10(H2O)6 |
|
_cod_database_code 1001340 |
|
_database_code_amcsd 0014154 |
|
8.803 7.040 11.066 90 94.12 90 P2_1/a |
|
atom x y z |
|
Np1 .17715 .15392 .04555 |
|
Co1 0 0 .5 |
|
F1 .4388 .2036 .0684 |
|
F2 .2147 .4709 .1013 |
|
F3 .0008 .9368 .1105 |
|
F4 .2922 .8596 .1117 |
|
F5 .2120 .1649 .2453 |
|
Wat1 .0354 .5657 .2858 |
|
Wat2 .3658 .4738 .3382 |
|
Wat3 .1660 .8827 .3934 |
|
Wat4 .0742 .2754 .4738 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
CuNp2F10(H2O)6 |
| |
Cousson A, Abazli H, Jove J, Gasperin M |
|   |
Journal of the Less-Common Metals 109 (1985) 155-168 |
|
Synthese et etude structurale des composes CoNp2F10(H2O)8 |
|
et CuNp2F10(H2O)6 |
|
_cod_database_code 1001341 |
|
_database_code_amcsd 0014155 |
|
19.043 7.128 8.593 90 96.63 90 P2/c |
|
atom x y z |
|
Np1 .21968 .09221 .31504 |
|
Cu1 0 .5 0 |
|
F1 .8101 .3233 .01400 |
|
F2 .2013 .0448 .05167 |
|
F3 .1854 .3894 .18798 |
|
F4 .8962 .0885 .21719 |
|
F5 .3070 .2754 .22427 |
|
Wat1 0 0 0 |
|
Wat2 .4218 .1628 .05022 |
|
Wat3 .5654 .1804 .10594 |
|
Wat4 0 .3451 .25 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Na O3.5 U |
| |
Gasperin M |
|   |
Journal of the Less-Common Metals 119 (1986) 83-90 |
|
Na2U2O7: Synthese et structure d'un monocristal |
|
_cod_database_code 1001351 |
|
_database_code_amcsd 0014157 |
|
3.911 3.911 17.857 90 90 120 R-3m |
|
atom x y z occ |
|
U1 -.0163 -.0600 .0054 .0833 |
|
Na1 0 0 .5 |
|
O1 0 0 .1048 .75 |
|
O2 .0455 -.0455 .3514 .332 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Na O3.5 U |
| |
Gasperin M |
|   |
Journal of the Less-Common Metals 119 (1986) 83-90 |
|
Na2U2O7: Synthese et structure d'un monocristal |
|
_cod_database_code 1001364 |
|
_database_code_amcsd 0014158 |
|
3.911 3.911 17.857 90 90 120 R-3m |
|
atom x y z occ |
|
U1 -.0163 -.0600 .0054 .0833 |
|
Na1 0 0 .5 |
|
O1 0 0 .1048 .75 |
|
O2 .0455 -.0455 .3514 .332 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K9 O22.5 U6 |
| |
Saine M, Gasperin M, Jove J, Cousson A |
|   |
Journal of the Less-Common Metals 132 (1987) 141-148 |
|
Relation entre la structure cristalline d'un uranate de potassium K9U6O22.5, |
|
et les spectres Mossbauer (Np237) des phases apparentees de neptunium |
|
_cod_database_code 1001690 |
|
_database_code_amcsd 0014162 |
|
8.722 8.722 8.722 90 90 90 Im3m |
|
atom x y z occ |
|
U1 0 .5 0 |
|
K1 .25 .25 .25 |
|
K2 0 0 0 .5 |
|
O1 .3064 0 0 |
|
O2 .25 0 .5 .875 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
K O3.5 U |
| |
Jove J, Cousson A, Gasperin M |
|   |
Journal of the Less-Common Metals 139 (1988) 345-350 |
|
Synthesis and crystal structure of K2 U2 O7 and Mossbauer |
|
(237 Np) studies of K2 Np2 O7 and Ca Np O4 |
|
_cod_database_code 1001381 |
|
_database_code_amcsd 0014163 |
|
3.96 3.96 19.82 90 90 120 R-3m |
|
atom x y z occ |
|
U1 .0443 0 0 .167 |
|
K1 0 0 .5 |
|
O1 0 0 .0936 |
|
O2 .0412 -.064 .3429 .125 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Ca3.11 Na8 O17.52 U3.7 |
| |
Gasperin M, Cousson A, He L, Jove J |
|   |
Journal of the Less-Common Metals 152 (1989) 339-348 |
|
Structure d'un Oxyde d'Uranium a Valence Mixte et Etude par |
|
Spectroscopie Mossbauer (237 Np) d'un Oxyde Isotype de Neptunium |
|
_cod_database_code 1001410 |
|
_database_code_amcsd 0014165 |
|
8.258 8.271 8.250 90 91.78 90 P2_1/n |
|
atom x y z occ |
|
U1 .5 0 0 |
|
U2 .5 .5 0 .4 |
|
U3 0 0 0 .222 |
|
Ca1 0 0 0 .778 |
|
U4 0 .5 0 .222 |
|
Ca2 0 .5 0 .778 |
|
Na1 .2284 .2402 .2652 |
|
Na2 .2697 .7446 .7206 |
|
O1 .2685 .0543 .0485 .73 |
|
O2 .4476 .0546 .7612 .73 |
|
O3 .0684 .2576 .5386 .73 |
|
O4 .4705 .2493 .4335 .73 |
|
O5 .9461 .0521 .2598 .73 |
|
O6 .7661 .0560 .5540 .73 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Dy5 O12 Re2 |
| |
Baud G, Besse J, Chevalier R, Gasperin M |
|   |
Materials Chemistry and Physics 8 (1983) 93-99 |
|
Synthese et etude structurale de l'oxyde double Dy5 Re2 O12 |
|
_cod_database_code 1001257 |
|
_database_code_amcsd 0014202 |
|
12.425 7.511 5.653 90 90 107.8 P2/c |
|
atom x y z occ |
|
Re1 .2451 -.0064 .0343 .5 |
|
Re2 .2652 .5135 .0333 .5 |
|
Dy1 .2443 .4975 .25 .5 |
|
Dy2 .267 .0088 .25 .5 |
|
Dy3 .5617 .1736 .25 |
|
Dy4 .9443 .3529 .25 |
|
Dy5 .5572 .6427 .25 |
|
Dy6 .9360 .8380 .25 |
|
O1 .4107 .0751 -.0187 |
|
O2 .0973 .4021 -.0464 |
|
O3 .4036 .5710 .0097 |
|
O4 .0864 .8965 .0105 |
|
O5 .2426 .1891 .25 |
|
O6 .2508 .7882 .25 |
|
O7 .7555 .8197 .25 |
|
O8 .7601 .16 .25 |
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Hendricksite |
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Robert J L, Gasperin M |
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Tschermaks Mineralogische und Petrographische Mitteilungen 34 (1985) 1-14 |
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Crystal structure refinement of hendricksite, a Zn- and Mn-rich trioctahedral |
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potassium mica: a contribution to the crystal chemistry of zinc-bearing minerals |
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Locality: Franklin Furnace, New Jersey, USA |
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Note: polytype 1M |
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_database_code_amcsd 0015700 |
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5.340 9.254 10.235 90 100.07 90 C2/m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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KA 0 0 0 .89 2.4 .02134 .00697 .00600 0 .00302 0 |
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NaA 0 0 0 .10 .3 .02134 .00697 .00600 0 .00302 0 |
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BaA 0 0 0 .01 .3 .02134 .00697 .00600 0 .00302 0 |
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Mg1 0 .5 .5 .524 .3 .00063 .00085 .00150 0 .00070 0 |
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Zn1 0 .5 .5 .18 .3 .00063 .00085 .00150 0 .00070 0 |
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Mn1 0 .5 .5 .1334 .3 .00063 .00085 .00150 0 .00070 0 |
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Fe1 0 .5 .5 .084 .3 .00063 .00085 .00150 0 .00070 0 |
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Ti1 0 .5 .5 .024 .3 .00063 .00085 .00150 0 .00070 0 |
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Al1 0 .5 .5 .0192 .3 .00063 .00085 .00150 0 .00070 0 |
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Cr1 0 .5 .5 .002 .3 .00063 .00085 .00150 0 .00070 0 |
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Mg2 0 .8317 .5 .524 .3 .00072 .00066 .00160 0 .00037 0 |
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Zn2 0 .8317 .5 .18 .3 .00072 .00066 .00160 0 .00037 0 |
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Mn2 0 .8317 .5 .1334 .3 .00072 .00066 .00160 0 .00037 0 |
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Fe2 0 .8317 .5 .084 .3 .00072 .00066 .00160 0 .00037 0 |
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Ti2 0 .8317 .5 .024 .3 .00072 .00066 .00160 0 .00037 0 |
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Al2 0 .8317 .5 .0192 .3 .00072 .00066 .00160 0 .00037 0 |
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Cr2 0 .8317 .5 .002 .3 .00072 .00066 .00160 0 .00037 0 |
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Si .5750 .1668 .2252 .73 .6 .00416 .00170 .00189 -.00049 .00108 .00000 |
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Al .5750 .1668 .2252 .27 .6 .00416 .00170 .00189 -.00049 .00108 .00000 |
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O1 .8242 .2331 .1674 1.6 .01338 .00650 .00290 -.00184 .00311 -.00067 |
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O2 .5211 0 .1671 1.7 .01980 .00471 .00300 0 .00108 0 |
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O3 .6313 .1663 .3898 .7 .00443 .00206 .00189 -.00104 .00000 -.00018 |
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OH .1297 0 .3949 .7 .00244 .00198 .00251 0 .00000 0 |
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