|
Ba H2 O5 Ru |
| |
Nowogrocki G, Abraham F, Trehoux J, Thomas D |
 |
Acta Crystallographica B32 (1976) 2413-2419 |
|
Configuration de l'ion ruthenate: structure cristalline du |
|
dihydroxotrioxoruthenate(VI) de baryum, Ba (Ru O3 (O H)2) |
|
_cod_database_code 1004035 |
|
_database_code_amcsd 0009572 |
|
10.023 10.023 25.471 90 90 120 R-3c |
|
atom x y z |
|
Ba1 0 0 0 |
|
Ba2 0 0 .1637 |
|
Ru1 .3461 0 .25 |
|
O1 .1706 0 .25 |
|
O2 .4377 .0041 .1910 |
|
O3 .4594 .2346 .2502 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Br4 In K |
| |
Wignacourt J, Mairesse G, Abraham F |
|
Acta Crystallographica C40 (1984) 2006-2007 |
|
Potassium Tetrabromoindate(III), K (In Br4) |
|
_cod_database_code 1004072 |
|
_database_code_amcsd 0010000 |
|
7.891 10.390 10.390 90 90 90 Pnna |
|
atom x y z |
|
In1 .25 0 .1808 |
|
Br1 .3428 .1875 .0486 |
|
Br2 -.0018 .0544 .3197 |
|
K1 .6792 .25 .25 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ag2(UO2)2V2O8 |
| |
Abraham F, Dion C, Tancret N, Saadi M |
| |
Advanced Materials Research 1 (1994) 511-520 |
|
Ag2(UO2)2V2O8: a new compound with the carnotite structure. Synthesis, |
|
structure and properties |
|
_database_code_amcsd 0011982 |
|
5.8952 8.3541 10.4142 90 100.56 90 P2_1/c |
|
atom x y z Biso |
|
Ag .5405 .2234 .3360 2.3 |
|
U -.0178 .0214 .1823 .4 |
|
V .1351 .3500 .0408 .8 |
|
O1 .056 .148 .010 1.34 |
|
O2 .406 .355 .033 1.34 |
|
O3 .663 .081 .143 1.34 |
|
O4 .143 .287 .204 1.34 |
|
O5 .278 -.041 .226 1.34 |
|
O6 -.090 .436 -.099 1.34 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi3 O11 Ru3 |
| |
Abraham F, Thomas D |
| |
Bulletin de la Societe Chimique de France 1975 (1975) 25-29 |
|
Structure cristalline de Bi3 Ru3 O11 |
|
_cod_database_code 1004040 |
|
_database_code_amcsd 0012108 |
|
9.302 9.302 9.302 90 90 90 *Pn3 |
|
.25 .25 .25 |
|
atom x y z |
|
Bi1 0 0 0 |
|
Bi2 .38379 .38379 .38379 |
|
Ru1 .3897 .75 .25 |
|
O1 .590 .25 .25 |
|
O2 .152 .152 .152 |
|
O3 .599 .247 .547 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi3 O11 Ru3 |
| |
Abraham F, Thomas D, Nowogrocki G |
| |
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 98 (1975) 25-29 |
|
Structure cristalline de Bi3 Ru3 O11 |
|
_cod_database_code 1004056 |
|
_database_code_amcsd 0012141 |
|
9.302 9.302 9.302 90 90 90 *Pn3 |
|
.25 .25 .25 |
|
atom x y z |
|
Bi1 0 0 0 |
|
Bi2 .38379 .38379 .38379 |
|
Ru1 .3897 .75 .25 |
|
O1 .590 .25 .25 |
|
O2 .152 .152 .152 |
|
O3 .599 .247 .547 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba2 Ni O8 P2 |
| |
Elbali B, Boukhari A, Aride J, Belaiche M, Abraham F, Drillon M |
| |
European Journal of Solid State and Inorganic Chemistry 31 (1994) 61-73 |
|
Crystal structure and magnetic properties of Ba2 Ni (P O4)2 |
|
_cod_database_code 1004106 |
|
_database_code_amcsd 0012586 |
|
5.312 8.789 16.06699 90 90.72 90 P2_1/n |
|
atom x y z |
|
Ba1 .29724 .29690 .98135 |
|
Ba2 .74252 .84645 .27012 |
|
Ni1 .27354 .48772 .36654 |
|
P1 .73237 .58609 .42170 |
|
P2 .24961 .61141 .16666 |
|
O1 .7889 .5847 .5148 |
|
O2 .5163 .6968 .4003 |
|
O3 .6453 .4302 .3875 |
|
O4 .9709 .6348 .3737 |
|
O5 .3518 .5274 .0907 |
|
O6 .3588 .7751 .1666 |
|
O7 -.0399 .6122 .1655 |
|
O8 .3525 .5306 .2449 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi Cu2 O6 P |
| |
Abraham F, Ketatni M, Mairesse G, Mernari B |
| |
European Journal of Solid State and Inorganic Chemistry 31 (1994) 313-323 |
|
Crystal structure of a new bismuth copper oxyphosphate: Bi Cu2 P O6 |
|
_cod_database_code 1004105 |
|
_database_code_amcsd 0012588 |
|
11.776 5.1730 7.7903 90 90 90 Pnma |
|
atom x y z |
|
Bi1 .10713 .25 .02360 |
|
Cu1 .0898 .75 .6864 |
|
Cu2 .0722 .75 .3156 |
|
P1 .1972 .25 .4658 |
|
O1 -.0056 .0040 .1760 |
|
O2 .1232 .4973 .4945 |
|
O3 .2986 .25 .5860 |
|
O4 .2345 .25 .2782 |
|
|
| Download AMC data (View Text File)
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|
| |
|
O11 U2 V2 |
| |
Tancret N, Obbade S, Abraham F |
| |
European Journal of Solid State and Inorganic Chemistry 32 (1995) 195-207 |
|
Ab initio structure determination of uranyl divanadate (U O2)2 V2 O7 |
|
from powder X-ray diffraction data |
|
_cod_database_code 1004107 |
|
_database_code_amcsd 0012594 |
|
5.6492 13.1841 7.2844 90 119.745 90 P2_1/c |
|
atom x y z |
|
U1 .1647 .6783 .3297 |
|
V1 .199 .5731 .851 |
|
O1 .151 .662 .007 |
|
O2 .827 .690 .212 |
|
O3 .5 .5 0 |
|
O4 .194 .651 .663 |
|
O5 .507 .652 .461 |
|
O6 -.068 .495 .732 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi Ni O5 P |
| |
Abraham F, Ketatni M |
| |
European Journal of Solid State and Inorganic Chemistry 32 (1995) 429-437 |
|
Crystal structure of a new bismuth nickel oxophosphate: Bi Ni O P O4 |
|
_cod_database_code 1004108 |
|
_database_code_amcsd 0012596 |
|
7.1664 11.206 5.1732 90 107.28 90 P2_1/n |
|
atom x y z |
|
Bi1 .19137 .09956 .10964 |
|
Ni1 .8137 .0805 .3702 |
|
P1 .0217 .3475 .2194 |
|
O1 .3385 .9172 .0473 |
|
O2 -.0147 .2221 .3138 |
|
O3 .8294 .4176 .1131 |
|
O4 .4841 .4758 .2450 |
|
O5 .6106 .1718 .4856 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Nd O4 Os |
| |
Abraham F, Trehoux J, Thomas D |
| |
Journal of Inorganic and Nuclear Chemistry 42 (1980) 1627-1630 |
|
Crystal structure of Nd Os O4 a new Ba Zn F4 -type compound |
|
_cod_database_code 1004067 |
|
_database_code_amcsd 0013055 |
|
14.859 7.55 5.487 90 90 90 Pna2_1 |
|
atom x y z |
|
Nd1 .4037 .1213 .2456 |
|
Nd2 .4368 .6230 .1892 |
|
Os1 .6658 .1206 .25 |
|
Os2 .6681 .6205 .2547 |
|
O1 .6006 .1642 -.0340 |
|
O2 .9427 .1544 -.0358 |
|
O3 .5847 .6040 -.0195 |
|
O4 .9510 .5989 -.0555 |
|
O5 .7786 .1706 .0840 |
|
O6 .7704 .5762 .0662 |
|
O7 .1607 .1212 .3441 |
|
O8 .6722 .8756 .1724 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ni3 O9 Sr4 |
| |
Abraham F, Minaud S, Renard C |
| |
Journal of Materials Chemistry 4 (1994) 1763-1764 |
|
Preliminary crystal structure of mixed-valency Sr4 Ni3 O9, the actual |
|
formula of the so-called Sr5 Ni4 O11 |
|
_cod_database_code 1004109 |
|
_database_code_amcsd 0013072 |
|
9.477 9.477 7.825 90 90 120 P321 |
|
atom x y z occ |
|
Sr1 .0233 .6918 .2476 |
|
Sr2 .3276 0 .5 |
|
Sr3 .3603 0 0 |
|
Ni1 1/3 2/3 .1086 |
|
Ni2 1/3 2/3 .4217 |
|
Ni3 0 0 .3383 |
|
Ni4 2/3 1/3 .237 .58 |
|
Ni5 0 0 0 .655 |
|
Ni6 .610 .273 .241 .14 |
|
Ni7 .924 0 0 .115 |
|
O1 .819 .5 .038 |
|
O2 .158 .007 .190 |
|
O3 .172 .519 .263 |
|
O4 .671 .177 .445 |
|
O5 .846 0 .5 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi2.37 H1.9 K1.14 O6.8 |
| |
Trehoux J, Abraham F, Thomas D |
| |
Journal of Solid State Chemistry 21 (1977) 203-209 |
|
Etude structurale d'un pyrochlore non stoechiometrique et desordonne |
|
contenant Bi(III) et Bi(V) |
|
_cod_database_code 1004037 |
|
_database_code_amcsd 0013342 |
|
10.965 10.965 10.965 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
K1 .5 .5 .5 .57 |
|
Bi1 .5 .5 .5 .185 |
|
Bi2 0 0 0 .135 |
|
Bi3 0 0 0 .865 |
|
O1 .324 .125 .125 .8167 |
|
O2 .324 .125 .125 .1833 |
|
O3 .41 .41 .41 .2 |
|
|
| Download AMC data (View Text File)
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|
| |
|
La3 O10 Os2 |
| |
Abraham F, Trehoux J, Thomas D |
| |
Journal of Solid State Chemistry 29 (1979) 73-79 |
|
La3Os2O10, a new compound containing isolated clusters Os2O10 |
|
with metal-metal bonds |
|
_cod_database_code 1004047 |
|
_database_code_amcsd 0013367 |
|
7.911 7.963 6.966 90 115.76 90 C2/m |
|
atom x y z |
|
La1 0 .5 0 |
|
La2 0 .24319 .5 |
|
Os1 .13397 0 .17838 |
|
O1 .86059 0 .10590 |
|
O2 .13993 .23735 .21221 |
|
O3 .40242 0 .28138 |
|
O4 .17857 0 .47689 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
La3.5 O13 Ru4 |
| |
Abraham F, Trehoux J, Thomas D |
| |
Journal of Solid State Chemistry 32 (1980) 151-160 |
|
La3.5 Ru4 O13: Un Nouveau Compose a Feuillets de Type Perovskite |
|
_cod_database_code 1004049 |
|
_database_code_amcsd 0013381 |
|
11.994 5.609 3.856 90 90 90 Pmmm |
|
atom x y z occ |
|
La1 0 .5 .45700 .5 |
|
La2 .27702 0 .5 |
|
La3 .5 .5 0 .5 |
|
Ru1 0 0 0 |
|
Ru2 .22565 .5 0 |
|
Ru3 .5 .25633 0 .5 |
|
O1 .33662 .24239 0 |
|
O2 .5 0 .36725 .5 |
|
O3 .5 .5 .3587 .5 |
|
O4 .05577 0 .5 .5 |
|
O5 .21694 .43305 .5 .5 |
|
O6 .08934 .29631 .06108 .25 |
|
O7 .12843 .20483 .12919 .25 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
H12 In N3 O12 S3 |
| |
Jolibois B, Laplace G, Abraham F, Nowogrocki G |
| |
Journal of Solid State Chemistry 40 (1981) 69-74 |
|
Monoclinic-trigonal transition in some M(I)3 M'(III) (S O4)3 compounds: |
|
The high temperature form of (N H4) In (S O4)3 |
|
_cod_database_code 1004126 |
|
_database_code_amcsd 0013421 |
|
15.531 15.531 9.163 90 90 120 R3c |
|
atom x y z |
|
N1 .4148 -.0260 .2761 |
|
In1 0 0 0 |
|
S1 .1738 .0261 .2479 |
|
O1 .0291 .1241 .1367 |
|
O2 .1282 .0209 .3882 |
|
O3 .2309 -.0224 .2653 |
|
O4 .2357 .1269 .2038 |
|
|
| Download AMC data (View Text File)
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|
| |
|
H O9 S2 Tl3 |
| |
Abraham F, Nowogrocki G, Jolibois B, Laplace G |
| |
Journal of Solid State Chemistry 47 (1983) 1-5 |
|
On Basic Thallium Sulfates: Structure of Tl2 Tl OH(SO4)2 |
|
_cod_database_code 1004058 |
|
_database_code_amcsd 0013502 |
|
7.758 17.587 7.356 90 119.91 90 Cc |
|
atom x y z |
|
Tl1 -.0445 .1131 .2167 |
|
Tl2 -.0330 .5206 .1911 |
|
Tl3 .25 .2467 0 |
|
S1 -.0266 .3222 .2417 |
|
S2 .4920 .4128 .2502 |
|
O1 -.1281 .3638 .0401 |
|
O2 .4115 .3569 .0688 |
|
O3 .6285 .4643 .2290 |
|
O4 -.1667 .2697 .2595 |
|
O5 .1311 .2742 .2499 |
|
O6 .3299 .4537 .2501 |
|
O7 .0515 .3739 .4205 |
|
O8 .6051 .3688 .4529 |
|
O9 .4853 .1959 .2821 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi3 K2 O13 P3 |
| |
Debreuille-Gresse M, Drache M, Abraham F |
| |
Journal of Solid State Chemistry 62 (1986) 351-359 |
|
The crystal structure, phase transition, and dielectric properties of |
|
K2 Bi3 (P O4)3 O, a new oxyphosphate |
|
_cod_database_code 1004110 |
|
_database_code_amcsd 0013579 |
|
13.139 10.413 9.239 90 90 90 Pnma |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .0834 .0524 .1933 .0262 .0186 .0214 -.0013 -.0084 .0018 |
|
Bi2 .0256 .25 .5143 .0112 .0203 .0173 0 .0004 0 |
|
K1 .7673 .75 .2036 |
|
K2 .7997 .25 .1549 |
|
P1 .3429 .0274 .0569 |
|
P2 .0096 .7313 .0804 .5 |
|
O1 .346 -.120 .069 |
|
O2 .352 .067 -.102 |
|
O3 .244 .081 .120 |
|
O4 .431 .086 .139 |
|
O5 .602 .25 .197 |
|
O6 .031 .832 -.039 .5 |
|
O7 -.075 .631 .038 .5 |
|
O8 .112 .656 .101 .5 |
|
O9 -.022 .800 .219 .5 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi3 K2 O13 P3 |
| |
Debreuille-Gresse M, Drache M, Abraham F |
| |
Journal of Solid State Chemistry 62 (1986) 351-359 |
|
The crystal structure, phase transition, and dielectric properties of |
|
K2 Bi3 (P O4)3 O, a new oxyphosphate |
|
_cod_database_code 1004111 |
|
_database_code_amcsd 0013580 |
|
13.302 10.506 9.240 90 90 90 Pnma |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .0823 .0595 .1927 .0370 .0348 .0349 .0017 -.0060 -.0026 |
|
Bi2 .0230 .25 .5209 .0278 .0323 .0354 0 .0006 0 |
|
K1 .7608 .75 .201 |
|
K2 .7961 .25 .1547 |
|
P1 .3445 .0242 .0627 |
|
P2 .0109 .7422 .0733 .5 |
|
O1 .353 -.120 .077 |
|
O2 .357 .063 -.095 |
|
O3 .248 .073 .129 |
|
O4 .429 .092 .143 |
|
O5 .598 .25 .205 |
|
O6 .042 .855 -.013 .5 |
|
O7 -.080 .665 .016 .5 |
|
O8 .103 .649 .081 .5 |
|
O9 -.021 .792 .222 .5 |
|
|
| Download AMC data (View Text File)
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|
| |
|
O4 Pb2 Pt |
| |
Bettahar N, Conflant P, Abraham F, Thomas D |
| |
Journal of Solid State Chemistry 67 (1987) 85-90 |
|
Pb2 Pt O4. A new platinum-lead oxide with edge-shared Pt O6 |
|
octahedral chains |
|
_cod_database_code 1004084 |
|
_database_code_amcsd 0013595 |
|
9.115 7.941 6.306 90 90 90 Pbam |
|
atom x y z |
|
Pb1 .3273 .1093 0 |
|
Pb2 .8435 .6399 .5 |
|
Pt1 0 0 .2510 |
|
O1 .169 .168 .247 |
|
O2 -.092 .129 .5 |
|
O3 -.110 .110 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi2 K3 O12 V3 |
| |
Debreuille-Gresse M, Abraham F |
| |
Journal of Solid State Chemistry 71 (1987) 466-471 |
|
Crystal structure and electrical properties of K3 Bi2 (V O4)3, |
|
a new potassium bismuth vanadate |
|
_cod_database_code 1004081 |
|
_database_code_amcsd 0013606 |
|
13.957 13.858 7.095 90 112.80 90 C2/c |
|
atom x y z |
|
Bi1 .23314 .14628 .15221 |
|
V1 .7417 .3878 .1394 |
|
V2 0 .7610 .25 |
|
K1 0 .2763 .25 |
|
K2 0 .0209 .25 |
|
K3 0 .5 0 |
|
O1 .4290 .3373 .0459 |
|
O2 .8252 .1662 .0991 |
|
O3 .8516 .4372 .1427 |
|
O4 .5737 .1878 .1696 |
|
O5 .6661 .4769 .1658 |
|
O6 .2310 .3059 .1504 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi2.33 D K1.17 O6.5 |
| |
Trehoux J, Abraham F, Thomas D, Doremieuz-Morin C, Arribart H |
| |
Journal of Solid State Chemistry 73 (1988) 80-91 |
|
Neutron Diffraction and ^1^H Rigid Lattice Wide-Line NMR Studies of |
|
Powder (K, Bi^III^, Bi^V^) Pyrochlores |
|
_cod_database_code 1004085 |
|
_database_code_amcsd 0013609 |
|
10.9431 10.9431 10.9431 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ |
|
Bi1 0 0 0 .105 |
|
Bi2 0 0 0 .895 |
|
Bi3 .5 .5 .5 .165 |
|
K1 .5 .5 .5 .585 |
|
O1 .3238 .125 .125 |
|
O2 .450 .450 .450 .11 |
|
O3 .375 .375 .375 .15 |
|
D1 .410 .410 .519 .08 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ni2 O8 P2 Sr |
| |
Elbali B, Boukhari A, Aride J, Abraham F |
| |
Journal of Solid State Chemistry 104 (1993) 453-459 |
|
The crystal structure of SrNi2(PO4/4)2 |
|
_cod_database_code 1004100 |
|
_database_code_amcsd 0013779 |
|
5.468 6.667 9.156 110.58 100.87 98.01 P-1 |
|
atom x y z |
|
Sr1 .75692 .79799 .55526 |
|
Ni1 .14162 .85599 .05986 |
|
Ni2 .49302 .41054 .15471 |
|
P1 .6550 -.0266 .1963 |
|
P2 .1072 .5704 .2581 |
|
O1 .1193 .4048 .0919 |
|
O2 .5029 .7327 .0814 |
|
O3 .8787 .0453 .1316 |
|
O4 .4535 .1170 .1862 |
|
O5 .1516 .8036 .2625 |
|
O6 .8542 .5111 .2984 |
|
O7 .7497 .0013 .3698 |
|
O8 .3381 .5464 .3734 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi1.62 O16 V8 |
| |
Abraham F, Mentre O |
| |
Journal of Solid State Chemistry 109 (1994) 127-133 |
|
Bi1.7V8O16 The first Bi-hollandite-type compound |
|
_cod_database_code 1004104 |
|
_database_code_amcsd 0013799 |
|
9.930 9.930 2.914 90 90 90 I4/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 0 0 .10449 .406 .0147 .0147 .0322 0 0 0 |
|
V1 .35504 .17023 0 .0058 .0058 .0090 .0002 0 0 |
|
O1 .15302 .19406 0 |
|
O2 .54078 .16439 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cu Na2 O7 P2 |
| |
Erragh F, Boukhari A, Abraham F, Elouadi B |
| |
Journal of Solid State Chemistry 120 (1995) 23-31 |
|
The crystal structure of alpha- and beta- Na2 Cu P2 O7 |
|
_cod_database_code 1004112 |
|
_database_code_amcsd 0013876 |
|
8.823 13.494 5.108 90 92.77 90 P2_1/n |
|
atom x y z |
|
Cu1 .25768 .15840 .20512 |
|
P1 .72850 .46307 .20705 |
|
P2 .95594 .31901 .2288 |
|
Na1 .6517 .2082 .2335 |
|
Na2 .1308 .8902 .2188 |
|
O1 .9119 .2756 .4915 |
|
O2 .8603 .2741 .0019 |
|
O3 .6785 .4470 -.0808 |
|
O4 .6503 .3873 .3816 |
|
O5 .7153 .5674 .2945 |
|
O6 .1232 .3120 .1925 |
|
O7 .9084 .4344 .2344 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Cu Na2 O7 P2 |
| |
Erragh F, Boukhari A, Abraham F, Elouadi B |
| |
Journal of Solid State Chemistry 120 (1995) 23-31 |
|
The crystal structure of alpha- and beta- Na2 Cu P2 O7 |
|
_cod_database_code 1004113 |
|
_database_code_amcsd 0013877 |
|
14.728 5.698 8.067 90 115.15 90 C2/c |
|
atom x y z |
|
Cu1 0 0 0 |
|
P1 .10478 .34114 .84425 |
|
Na1 .27068 .6399 .2009 |
|
O1 .1017 .2135 .0077 |
|
O2 .1878 .5160 .8983 |
|
O3 .1072 .1677 .7006 |
|
O4 0 .4825 .75 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi26 Mo6.14 O68 V3.86 |
| |
Vannier R, Mairesse G, Abraham F, Nowogorocki G |
| |
Journal of Solid State Chemistry 122 (1996) 394-406 |
|
Bi26Mo10Od solid solution type in the Bi2O3 - MoO3 - V2O5 ternary diagram |
|
_cod_database_code 1004118 |
|
_database_code_amcsd 0013882 |
|
11.633 5.795 24.39 90 101.35 90 P2/c |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .03800 .4128 .32736 .0145 .0099 .0089 .0007 .0011 -.0011 |
|
Bi2 .15857 .9101 .24508 .0137 .0099 .0153 -.0001 .0027 -.0006 |
|
Bi3 .23743 .0047 .40059 .0199 .0148 .0117 .0025 -.0026 -.0009 |
|
Bi4 .35916 .4960 .32079 .0109 .0144 .0189 .0000 -.0008 -.0045 |
|
Bi5 .27319 .4962 .15770 .0120 .0180 .0214 .0025 .0055 .0055 |
|
Bi6 .08283 .0009 .08970 .0198 .0147 .0099 -.0033 .0041 -.0008 |
|
Bi7 .510 .502 .0076 .5 .043 .037 .017 -.002 .004 -.008 |
|
Mo1 .4272 -.0076 .0794 .58 .014 .025 .021 .000 .005 -.004 |
|
V1 .4272 -.0076 .0794 .42 .014 .025 .021 .000 .005 -.004 |
|
Mo2 .8309 .5131 .0126 .68 .025 .015 .007 .001 .002 .001 |
|
V2 .8309 .5131 .0126 .32 .025 .015 .007 .001 .002 .001 |
|
Mo3 .5 .007 .25 .55 .014 .015 .043 0 .009 0 |
|
V3 .5 .007 .25 .45 .014 .015 .043 0 .009 0 |
|
O1 0 .719 .25 |
|
O2 .140 .253 .1521 |
|
O3 .136 .744 .1521 |
|
O4 .237 .763 .3359 |
|
O5 .254 .581 .2420 |
|
O6 .059 .054 .3670 |
|
O7 0 .232 .25 |
|
O8 .229 .264 .3352 |
|
O9 .496 .727 .079 |
|
O10 .379 .067 .011 |
|
O11 .312 -.012 .108 |
|
O12 .527 .195 .097 |
|
O13 .919 .287 .032 |
|
O14 .803 .544 -.056 |
|
O15 .894 .754 .048 |
|
O16 .700 .452 .038 |
|
O17 .378 .168 .246 |
|
O18 .483 .83 .199 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi26 Mo10 O69 |
| |
Vannier R, Mairesse G, Abraham F, Nowogorocki G |
| |
Journal of Solid State Chemistry 122 (1996) 394-406 |
|
Bi26Mo10Od solid solution type in the Bi2O3 - MoO3 - V2O5 ternary diagram |
|
_cod_database_code 1004131 |
|
_database_code_amcsd 0013883 |
|
11.742 5.800 24.76999 90 102.94 90 P2/c |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .04101 .4163 .32690 .0129 .0123 .0129 .0004 .0041 -.0014 |
|
Bi2 .15779 .9151 .24587 .0114 .0106 .0195 .0002 .0063 -.0004 |
|
Bi3 .24670 .0113 .40065 .0190 .0135 .0132 .0022 .0039 .0010 |
|
Bi4 .36084 .5026 .32328 .0099 .0151 .0204 .0002 .0042 -.0024 |
|
Bi5 .26942 .5034 .16025 .0094 .0155 .0166 .0017 .0051 .0044 |
|
Bi6 .07778 .0081 .09138 .0144 .0136 .0110 -.0022 .0034 .0003 |
|
Bi7 .5120 .478 .0101 .5 .040 .074 .023 .004 .015 .000 |
|
Mo1 .4180 -.0045 .0775 .0120 .019 .029 -.0014 .0082 .001 |
|
Mo2 .8317 .5160 .0108 .041 .020 .017 .002 .005 .002 |
|
Mo3 .5 .0078 .25 .019 .019 .032 0 .005 0 |
|
O1 0 .727 .25 |
|
O2 .136 .261 .1582 |
|
O3 .132 .755 .1539 |
|
O4 .238 .769 .3362 |
|
O5 .255 .589 .2440 |
|
O6 .063 .066 .3674 |
|
O7 0 .239 .25 |
|
O8 .230 .269 .3350 |
|
O9 .506 .735 .082 |
|
O10 .379 .106 .013 |
|
O11 .302 -.024 .105 |
|
O12 .528 .205 .099 |
|
O13 .929 .303 .023 |
|
O14 .800 .552 -.058 |
|
O15 .888 .755 .049 |
|
O16 .710 .433 .032 |
|
O17 .378 .166 .245 |
|
O18 .482 .820 .194 |
|
|
| Download AMC data (View Text File)
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|
| |
|
PbPt2O4 |
| |
Tancret N, Obbade S, Bettahar N, Abraham F |
| |
Journal of Solid State Chemistry 124 (1996) 309-318 |
|
Synthesis and ab initio structure determination from powder X-ray |
|
diffraction data of a new metallic mixed-valence platinum-lead oxide PbPt2O4 |
|
_cod_database_code 1004132 |
|
_database_code_amcsd 0013899 |
|
6.1161 6.6504 5.5502 97.178 108.803 115.241 P-1 |
|
atom x y z |
|
Pb1 .75 .8609 .1430 |
|
Pt1 0 .5 .5 |
|
Pt2 .5 0 .5 |
|
Pt3 0 .5 0 |
|
Pt4 .5 .5 .5 |
|
O1 .598 .282 .350 |
|
O2 .336 .5 .120 |
|
O3 .163 .850 .176 |
|
O4 .127 .274 .481 |
|
|
| Download AMC data (View Text File)
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|
| |
|
O11 Pb V6 |
| |
Mentre O, Abraham F |
| |
Journal of Solid State Chemistry 125 (1996) 91-101 |
|
New mixed valence compounds in the Pb - V - O system synthesis and |
|
crystal structure of hollandite-related Pb1.32 V8.35 O16.7 and R-type |
|
hexagonal ferrite Pb V6 O11 |
|
_cod_database_code 1004115 |
|
_database_code_amcsd 0013900 |
|
5.754 5.754 13.267 90 90 120 P6_3mc |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 1/3 2/3 .2231 .0080 .0080 .00106 .0040 0 0 |
|
V1 .5112 .4888 -.0021 .0021 .0021 .00049 .0004 .0001 -.0001 |
|
V2 0 0 .1447 .0027 .0027 .0005 .00135 0 0 |
|
V3 0 0 .3501 .0023 .0023 .0004 .00115 0 0 |
|
V4 2/3 1/3 .2633 .0026 .0026 .0010 .0013 0 0 |
|
O1 .1764 .8236 .0776 |
|
O2 .1516 .8484 .75 |
|
O3 .1713 .8287 .4169 |
|
O4 2/3 1/3 .4109 |
|
O5 2/3 1/3 .0936 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Ba2 O9 V3 |
| |
Dhaussy A, Abraham F, Mentre O, Steinfink H |
| |
Journal of Solid State Chemistry 126 (1996) 328-335 |
|
Crystal structure and characterization of Ba2 V3 O9: a vanadyl(IV) |
|
vanadate containing rutile-like chains of V O6 octahedra |
|
_cod_database_code 1004116 |
|
_database_code_amcsd 0013901 |
|
9.302 5.969 8.118 90 113.96 90 P2_1/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ba1 .58821 .25 .19377 .0081 .0099 .0096 0 .0037 0 |
|
Ba2 .76547 .25 .78224 .0153 .0209 .0139 0 .0098 0 |
|
V1 .32357 .25 .52905 .0070 .0060 .0097 0 .0043 0 |
|
V2 .18540 .25 .92363 .0074 .0087 .0064 0 .0018 0 |
|
V3 .98928 .03453 .47520 .5 .0064 .0054 .0078 -.0013 .0021 -.0011 |
|
O1 .3047 .0236 -.0083 .0167 .0088 .0117 .0019 .0026 .0017 |
|
O2 .2088 .0050 .4918 .0074 .0081 .0180 -.0009 .0051 -.0010 |
|
O3 .4228 .25 .3991 .0348 .0276 .0311 0 .0278 0 |
|
O4 .0681 .25 .0310 .0171 .0566 .0154 0 .0110 0 |
|
O5 .4537 .25 .7435 .0102 .0166 .0155 0 -.0014 0 |
|
O6 .9283 .25 .3286 .0090 .0125 .0107 0 .0036 0 |
|
O7 .0618 .25 .6790 .0116 .0076 .0077 0 .0016 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Fe1.75 O11 Pb V4.25 |
| |
Mentre O, Dhaussy A, Abraham F, Steinfink H |
| |
Journal of Solid State Chemistry 130 (1997) 223-233 |
|
Effect of iron substitution on the structural, electric, and magnetic |
|
properties in R-type Pb Fex V6-x O11, a frustrated system |
|
_cod_database_code 1004123 |
|
_database_code_amcsd 0013923 |
|
5.742 5.742 13.507 90 90 120 P6_3mc |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb1 1/3 2/3 .2214 .0162 .0162 .0140 .0081 0 0 |
|
V1 .5094 .4906 -.0003 .0085 .0085 .0407 .0042 0 0 |
|
V2 0 0 .1459 .75 .0002 .0002 .0055 .0001 0 0 |
|
Fe1 0 0 .1459 .25 .0002 .0002 .0055 .0001 0 0 |
|
V3 0 0 .3522 .5 .0048 .0048 .0029 .0012 .0015 -.0015 |
|
Fe2 0 0 .3522 .5 .0048 .0048 .0029 .0012 .0015 -.0015 |
|
Fe3 2/3 1/3 .2703 .0072 .0072 .0010 .0036 0 0 |
|
O1 .173 .827 .081 |
|
O2 .153 .847 .75 |
|
O3 .173 .827 .421 |
|
O4 2/3 1/3 .420 |
|
O5 2/3 1/3 .086 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi9 Cl O18 V2 |
| |
Mentre O, Abraham F |
| |
Journal of Solid State Chemistry 136 (1998) 34-45 |
|
Synthesis, crystal structure, infrared characterization, and electrical |
|
properties of the new Bi9 (V(1-x) P(x))2 Cl O18 series (0 <= x <= 1) |
|
_cod_database_code 1004152 |
|
_database_code_amcsd 0013948 |
|
11.671 5.463 14.792 90 93.67 90 P2_1/m |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Bi1 .30514 .25 .21706 .0061 .0112 .0096 0 .0004 0 |
|
Bi2 .54312 .25 .65271 .0085 .0092 .0064 0 -.0010 0 |
|
Bi3 .86075 .25 .66356 .0080 .0216 .0067 0 .0010 0 |
|
Bi4 .95414 .25 .15650 .0064 .0238 .0068 0 .0004 0 |
|
Bi5 .61437 .25 .20042 .0074 .0250 .0096 0 .0005 0 |
|
Bi6 .26125 .25 .47071 .0102 .0163 .0055 0 -.0006 0 |
|
Bi7 .26166 .25 .95538 .0075 .0114 .0069 0 .0001 0 |
|
Bi8 .96168 .25 .41215 .0078 .0112 .0099 0 .0005 0 |
|
Bi9 .55723 .3057 .91299 .5 .0095 .0158 .0221 .0044 .0041 .0083 |
|
V1 .1984 .25 .7196 .006 .008 .008 0 -.001 0 |
|
V2 .8609 .25 .9070 .006 .032 .006 0 .000 0 |
|
Cl1 .5715 .25 .4330 .081 .026 .022 0 .0004 0 |
|
O1 .5995 -.003 .0861 |
|
O2 .4538 -.001 .2279 |
|
O3 .2950 .505 .3599 |
|
O4 .1047 .493 .4526 |
|
O5 .3613 .25 .0768 |
|
O6 .7612 .25 .8196 |
|
O7 .1872 .004 .2101 |
|
O8 .0466 .25 .2814 |
|
O9 .0975 .25 .6333 |
|
O10 .3311 .25 .6865 |
|
O11 .9880 .151 .8818 .5 |
|
O12 .8725 .586 .9136 .5 |
|
O13 .8109 .165 .0025 .5 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Bi26.4 Mo9.6 O68.4 |
| |
Vannier R, Abraham F, Nowogrocki G, Mairesse G |
| |
Journal of Solid State Chemistry 142 (1999) 294-304 |
|
New structural and electrical data on Bi-Mo mixed oxides with a |
|
structure based on (B12 O14)(infinite) columns |
|
_cod_database_code 1004134 |
|
_database_code_amcsd 0013958 |
|
11.7525 5.8005 24.8024 90 102.867 90 P2/c |
|
atom x y z occ |
|
Bi1 .0409 .416 .3261 |
|
Bi2 .1584 .920 .2456 |
|
Bi3 .2483 .008 .4013 |
|
Bi4 .3607 .502 .3241 |
|
Bi5 .2698 .501 .1597 |
|
Bi6 .0761 .004 .0908 |
|
Bi7 .522 .536 .009 .5 |
|
Mo1 .4162 -.007 .0782 .96 |
|
Bi8 .4162 -.007 .0782 .04 |
|
Mo2 .8329 .512 .0105 .96 |
|
Bi9 .8329 .512 .0105 .04 |
|
Mo3 .5 .006 .25 .96 |
|
Bi10 .5 .006 .25 .04 |
|
O1 0 .713 .25 |
|
O2 .1438 .258 .1584 |
|
O3 .1264 .755 .1539 |
|
O4 .237 .766 .3368 |
|
O5 .2529 .591 .2424 |
|
O6 .0610 .068 .3670 |
|
O7 0 .222 .25 |
|
O8 .235 .265 .3362 |
|
O9 .514 -.254 .0851 |
|
O10 .384 .106 .0100 |
|
O11 .304 -.009 .1080 |
|
O12 .531 .216 .0967 |
|
O13 .932 .293 .0284 |
|
O14 .799 .561 -.0583 |
|
O15 .885 .757 .0463 |
|
O16 .708 .423 .0377 |
|
O17 .375 .172 .2423 |
|
O18 .478 -.167 .1905 |
|
O19 .485 .39 .182 .1 |
|
|
| Download AMC data (View Text File)
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|
| |
|
O10 Ru3 Sr2 |
| |
Renard C, Daviero-Minaud S, Abraham F |
| |
Journal of Solid State Chemistry 143 (1999) 266-272 |
|
High-pressure synthesis and crystal structure of a new strontium |
|
ruthenium oxide: Sr2 Ru3 O10 |
|
_cod_database_code 1004145 |
|
_database_code_amcsd 0013971 |
|
10.985 5.635 6.452 90 105.3 90 C2/m |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ru1 0 0 0 .0065 .0032 .0042 0 .0036 0 |
|
Ru2 0 .2299 .5 .0044 .0036 .0042 0 .0030 0 |
|
Sr1 .67081 0 .1455 .0068 .0078 .0100 0 .0043 0 |
|
O1 -.0193 .2458 .1915 .013 .005 .004 .001 .005 -.002 |
|
O2 .1918 0 .116 .008 .017 .007 0 .004 0 |
|
O3 .3839 0 .475 .003 .006 .010 0 .002 0 |
|
O4 .8611 0 .459 .003 .008 .014 0 .003 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
O12 Ru3.05 Sr4 |
| |
Renard C, Daviero-Minaud S, Huve M, Abraham F |
| |
Journal of Solid State Chemistry 144 (1999) 125-135 |
|
Sr4 Ru3.05 O12: a new member of the hexagonal perovskite family |
|
_cod_database_code 1004146 |
|
_database_code_amcsd 0013973 |
|
5.566 5.566 18.18599 90 90 120 P6_3mc |
|
atom x y z occ |
|
Sr1 0 0 0 |
|
Sr2 2/3 1/3 .125 |
|
Sr3 1/3 2/3 .239 |
|
Sr4 2/3 1/3 .3560 |
|
Ru1 1/3 2/3 .0533 |
|
Ru2 1/3 2/3 .4292 |
|
Ru3 0 0 .1756 .50 |
|
Ru4 0 0 .3094 .55 |
|
O1 .518 .482 -.002 |
|
O2 .176 -.176 .122 |
|
O3 .839 .161 .249 |
|
O4 .166 -.166 .380 |
|
|
| Download AMC data (View Text File)
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|
| |
|
O5 Pb0.3 V2 |
| |
Mentre O, Huve M, Abraham F |
| |
Journal of Solid State Chemistry 145 (1999) 186-196 |
|
Bidimensional cationic ordering and thermal dependence |
|
in beta- Pb(x)V2O5 bronzes |
|
_cod_database_code 1004147 |
|
_database_code_amcsd 0013975 |
|
15.478 3.644 10.123 90 109.29 90 C2/m |
|
atom x y z occ |
|
Pb1 .00433 0 .39454 .451 |
|
V1 .33531 0 .0982 |
|
V2 .11721 0 .1157 |
|
V3 .28448 0 .4081 |
|
O1 0 0 0 |
|
O2 .8133 0 .0504 |
|
O3 .6337 0 .0776 |
|
O4 .4351 0 .2161 |
|
O5 .2629 0 .2219 |
|
O6 .1096 0 .2728 |
|
O7 .7564 0 .4245 |
|
O8 .3944 0 .4699 |
|
|
| Download AMC data (View Text File)
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|
| |
|
O5 Pb0.304 V2 |
| |
Mentre O, Huve M, Abraham F |
| |
Journal of Solid State Chemistry 145 (1999) 186-196 |
|
Bidimensional cationic ordering and thermal dependence |
|
in beta- Pb(x)V2O5 bronzes |
|
_cod_database_code 1004148 |
|
_database_code_amcsd 0013976 |
|
15.478 7.288 10.123 90 109.29 90 P2_1/m |
|
atom x y z occ |
|
Pb1 .5040 .0032 .3948 .466 |
|
Pb2 .00453 .75 .3944 .892 |
|
V1 .8314 .5012 .0964 |
|
V2 .3391 .75 .1008 |
|
V3 .3381 .25 .0984 |
|
V4 .6115 .4992 .1112 |
|
V5 .1213 .75 .1155 |
|
V6 .1259 .25 .1260 |
|
V7 .7800 .5017 .4036 |
|
V8 .2874 .75 .4112 |
|
V9 .2906 .25 .4144 |
|
O1 -.0002 .25 -.005 |
|
O2 .5 0 0 |
|
O3 .315 .001 .054 |
|
O4 .807 .75 .046 |
|
O5 .815 .25 .045 |
|
O6 .130 .003 .075 |
|
O7 .637 .75 .080 |
|
O8 .637 .25 .079 |
|
O9 .939 -.010 .217 |
|
O10 .432 .75 .215 |
|
O11 .430 .25 .215 |
|
O12 .760 .003 .222 |
|
O13 .267 .75 .221 |
|
O14 .264 .25 .222 |
|
O15 .614 .003 .278 |
|
O16 .108 .75 .269 |
|
O17 .101 .25 .265 |
|
O18 .251 0 .423 |
|
O19 .756 .75 .421 |
|
O20 .766 .25 .431 |
|
O21 .892 .014 .468 |
|
O22 .395 .75 .471 |
|
O23 .397 .25 .472 |
|
|
| Download AMC data (View Text File)
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Cs O11 U V3 |
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Duribreux I, Dion C, Abraham F |
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Journal of Solid State Chemistry 146 (1999) 258-265 |
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Cs U V3 O11: a new uranyl vanadate with a layered structure |
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_cod_database_code 1004149 |
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_database_code_amcsd 0013977 |
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11.904 6.821 12.095 90 106.989 90 P2_1/a |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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U1 .30312 .0008 .18227 .0038 .0032 .0126 .0003 .0033 .0002 |
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Cs1 .1202 .7337 .4434 .0970 .0463 .0268 .0058 .0025 -.0043 |
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V1 .3162 .5040 .2268 .0064 .0038 .0196 -.0010 .0054 .0010 |
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V2 .0672 .2501 .2297 .0030 .0041 .0239 .0003 .0065 .0002 |
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V3 .5407 .7494 .1384 .0109 .0097 .0221 .0001 .0065 -.0003 |
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O1 .2596 .003 .0305 |
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O2 .3463 -.008 .3352 |
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O3 .3556 .516 .365 |
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O4 .1088 .251 .370 |
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O5 .002 .248 -.001 |
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O6 .4069 .692 .185 |
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O7 .2004 .691 .182 |
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O8 .4097 .309 .194 |
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O9 .2035 .309 .1935 |
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O10 .0984 -.003 .1911 |
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O11 .0126 .503 .1903 |
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Ir3 La3 O11 |
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Abraham F, Trehoux J, Thomas D |
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Journal of the Less-Common Metals 63 (1979) P57-P63 |
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Preparation et etude structurale d'un nouveau compose contenant le |
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cluster M12 O36 * La3 Ir3 O11 |
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_cod_database_code 1004066 |
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_database_code_amcsd 0014142 |
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9.499 9.499 9.499 90 90 90 *Pn3 |
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.25 .25 .25 |
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atom x y z |
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La1 0 0 0 |
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La2 .38625 .38625 .38625 |
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Ir1 .40690 .75 .25 |
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O1 .6143 .25 .25 |
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O2 .1473 .1473 .1473 |
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O3 .5855 .2515 .5417 |
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Nd4 O19 Os6 |
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Abraham F, Trehoux J, Thomas D |
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Journal of the Less-Common Metals 77 (1981) P23-P30 |
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Caracterisation et structure d'un nouvel oxyde de neodyme et d'osmium |
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derive du type K Sb O3-cubique: Nd4 Os6 O19 |
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_cod_database_code 1004068 |
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_database_code_amcsd 0014145 |
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8.957 8.957 8.957 90 90 90 I23 |
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atom x y z |
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Nd1 .15737 .15737 .15737 |
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Os1 .36153 .5 0 |
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O1 .3228 0 0 |
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O2 0 0 0 |
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O3 .3408 .28379 .97853 |
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K2 O16 Ru8 |
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Djafri F, Canonne J, Abraham F, Thomas D |
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Journal of the Less-Common Metals 109 (1985) 323-329 |
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Insertion de lithium dans la phase de structure hollandite: KxRu8O16 (x=1.5) |
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_cod_database_code 1004080 |
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_database_code_amcsd 0014156 |
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9.866 9.866 3.131 90 90 90 I4/m |
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atom x y z |
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K1 0 0 .5 |
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Ru1 .35023 .16757 0 |
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O1 .149070 .19834 0 |
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O2 .54518 .15802 0 |
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La4 O19 Ru6 |
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Abraham F, Trehoux J, Thomas D |
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Materials Research Bulletin 12 (1977) 43-52 |
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La liaison metal-metal dans les clusters M12 O36: I - preparation |
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et etudes structurale des phases La4 M6 O19 (M = Ru, Os) |
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_cod_database_code 1004061 |
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_database_code_amcsd 0014252 |
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8.981 8.981 8.981 90 90 90 I23 |
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atom x y z |
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La1 .16279 .16279 .16279 |
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Ru1 .36147 .5 0 |
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O1 .33313 0 0 |
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O2 0 0 0 |
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O3 .34044 .28582 .97122 |
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La4 O19 Os6 |
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Abraham F, Trehoux J, Thomas D |
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Materials Research Bulletin 12 (1977) 43-52 |
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La liaison metal-metal dans les clusters M12 O36: I - preparation |
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et etudes structurale des phases La4 M6 O19 (M = Ru, Os) |
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_cod_database_code 1004062 |
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_database_code_amcsd 0014253 |
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9.050 9.050 9.050 90 90 90 I23 |
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atom x y z |
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La1 .16016 .16016 .16016 |
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Os1 .36189 .5 0 |
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O1 .32637 0 0 |
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O2 0 0 0 |
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O3 .33894 .28494 .97458 |
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La3 O11 Ru3 |
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Abraham F, Trehoux J, Thomas D |
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Materials Research Bulletin 13 (1978) 805-810 |
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La liaison metal-metal dans les clusters M12 O36: II-Preparation et |
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etude structurelle de la phase La3 Ru3 O11 |
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_cod_database_code 1004063 |
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_database_code_amcsd 0014268 |
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9.466 9.466 9.466 90 90 90 *Pn3 |
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.25 .25 .25 |
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atom x y z |
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La1 0 0 0 |
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La2 .38707 .38707 .38707 |
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Ru1 .40831 .75 .25 |
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O1 .61933 .25 .25 |
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O2 .14430 .14430 .14430 |
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O3 .58466 .25383 .53985 |
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Bi2.51 H1.3 Na1.09 O6.86 |
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Trehoux J, Abraham F, Thomas D |
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Materials Research Bulletin 17 (1982) 1235-1243 |
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Synthese et caracterisation de nouvelles phases du diagramme (K ou Na)-Bi-O |
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_cod_database_code 1004128 |
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_database_code_amcsd 0014298 |
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10.94 10.94 10.94 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Na1 .5 .5 .5 .545 |
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Bi1 .5 .5 .5 .255 |
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Bi2 0 0 0 .055 |
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Bi3 0 0 0 .945 |
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O1 .323 .125 .125 |
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O2 .41 .41 .41 .05 |
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O3 .41 .41 .41 .165 |
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Bi H0.5 K O3.25 |
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Trehoux J, Abraham F, Thomas D |
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Materials Research Bulletin 17 (1982) 1235-1243 |
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Synthese et caracterisation de nouvelles phases du diagramme (K ou Na)-Bi-O |
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_cod_database_code 1004129 |
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_database_code_amcsd 0014299 |
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10.035 10.035 10.035 90 90 90 Pn3 |
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atom x y z |
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K1 .75 .75 .75 |
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K2 .14 .14 .14 |
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Bi1 .333 .5 0 |
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O1 .365 0 0 |
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O2 .29 0 .33 |
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O6 Rb W1.6 |
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Driouiche A, Abraham F, Touboul M, Figlarz M |
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Materials Research Bulletin 26 (1991) 901-908 |
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Synthesis and characterization of cubic pyrochlore-type rubidium and |
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caesium tungstates with a lacunar host lattice |
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_cod_database_code 1004089 |
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_database_code_amcsd 0014359 |
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10.176 10.176 10.176 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Rb1 .375 .375 .375 |
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W1 0 0 0 .8 |
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O1 .315 .125 .125 |
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Cs O6 W1.6 |
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Driouiche A, Abraham F, Touboul M, Figlarz M |
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Materials Research Bulletin 26 (1991) 901-908 |
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Synthesis and characterization of cubic pyrochlore-type rubidium and |
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caesium tungstates with a lacunar host lattice |
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_cod_database_code 1004090 |
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_database_code_amcsd 0014360 |
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10.213 10.213 10.213 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Cs1 .375 .375 .375 |
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W1 0 0 0 .8 |
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O1 .315 .125 .125 |
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Bi Na3 O8 P2 |
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Mairesse G, Drache M, Nowogrocki G, Abraham F |
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Phase Transition 27 (1990) 91-105 |
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Order-disorder transition in Na3Bi(PO4)2 |
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_cod_database_code 1004091 |
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_database_code_amcsd 0014941 |
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19.86 5.353 13.96 90 110.64 90 P2_1/c |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Bi1 .61841 .20700 .04345 .0078 .0095 .0072 -.0008 .0024 -.0008 |
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Bi2 .12003 .19194 .07593 .0070 .0092 .0079 -.0008 .0018 .0002 |
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P1 .7082 .7775 .7126 .0054 .0061 .0073 .0000 .0011 .0001 |
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P2 .0400 .7705 .6222 .0046 .0058 .0088 -.0009 .0022 -.0009 |
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P3 .4617 .2352 .5826 .0066 .0055 .0076 -.0010 .0017 -.0001 |
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P4 .2086 .7733 .4965 .0044 .0066 .0085 -.0001 .0014 .0006 |
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Na1 .8010 .2073 .2464 .012 .016 .017 .001 .005 .001 |
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Na2 .5354 .7546 .1916 .013 .019 .013 -.002 .006 -.001 |
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Na3 .8631 .7452 .1691 .013 .019 .014 .003 .008 .003 |
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Na4 .9642 .2455 .1551 .012 .019 .015 -.004 .004 .000 |
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Na5 .3023 .2531 .0524 .011 .018 .017 .004 .003 -.001 |
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Na6 .3610 .7488 .1942 .014 .020 .010 -.002 .000 -.004 |
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O1 .6623 .6744 .7693 .011 .024 .018 -.004 .005 .003 |
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O2 .6955 .0595 .6909 .013 .008 .016 .001 -.003 .001 |
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O3 .6944 .6337 .6118 .015 .015 .015 .000 .001 -.005 |
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O4 .7897 .7340 .7746 .005 .015 .014 .002 .000 -.002 |
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O5 .0866 .5464 .6843 .014 .006 .013 .002 .002 .002 |
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O6 .0807 .0118 .6694 .013 .006 .014 .000 -.003 .000 |
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O7 .0325 .7401 .5104 .018 .012 .014 .000 .004 .001 |
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O8 -.0315 .7658 .6396 .007 .021 .022 .002 .007 -.001 |
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O9 .5336 .2339 .6714 .008 .019 .018 .001 -.003 -.003 |
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O10 .4175 .4649 .5991 .013 .006 .010 .003 .004 .002 |
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O11 .4191 -.0004 .5894 .015 .007 .020 -.002 .009 -.002 |
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O12 .4688 .2576 .4781 .017 .012 .018 -.001 .007 .003 |
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O13 .1987 .6366 .5884 .019 .016 .014 -.004 .005 .005 |
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O14 .2906 .7521 .5164 .006 .023 .015 .001 .005 -.004 |
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O15 .1912 .0530 .4973 .015 .007 .022 .002 .006 .003 |
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O16 .1625 .6558 .3965 .007 .020 .013 -.003 .001 -.007 |
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Bi Na3 O8 P2 |
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Mairesse G, Drache M, Nowogrocki G, Abraham F |
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Phase Transition 27 (1990) 91-105 |
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Order-disorder transition in Na3Bi(PO4)2 |
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_cod_database_code 1004092 |
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_database_code_amcsd 0014942 |
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18.71 7.18 5.429 90 90. 90 Pnam |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Bi1 .11815 .03270 .25 .0412 .0272 .0687 .0018 0 0 |
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P1 .2913 .2866 .25 .022 .030 .040 -.002 0 0 |
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P2 .4621 .7070 .25 .025 .028 .030 -.001 0 0 |
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Na1 .4609 .1606 .25 .062 .053 .081 -.006 0 0 |
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Na2 .1365 .5266 .25 .061 .044 .107 .019 0 0 |
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Na3 .2993 .8049 .25 .044 .084 .078 -.001 0 0 |
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O1 .4206 .7709 .0230 .061 .056 .033 .014 -.011 .001 |
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O2 .4673 .4953 .25 .103 .042 .077 -.002 0 0 |
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O3 .5354 .7921 .25 .041 .074 .106 -.033 0 0 |
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O4 .2101 .2474 .25 .023 .047 .08 -.004 0 0 |
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O5 .3112 .3230 -.0245 .5 .067 .080 .066 -.029 .028 .001 |
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O6 .3036 .4564 .1044 .5 .093 .079 .092 -.008 -.004 .050 |
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O7 .3338 .130 .1619 .5 .047 .072 .075 .011 .008 -.034 |
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Bi1.9 O5.3 Pb0.2 V0.9 |
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Vannier R, Mairesse G, Nowogrocki G, Abraham F, Boivin J |
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Solid State Ionics 53 (1992) 713-722 |
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Electrical and structural investigations on a new bismuth lead vanadium |
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oxide solid electrolyte |
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_cod_database_code 1004097 |
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_database_code_amcsd 0015510 |
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3.965 3.965 15.46 90 90 90 I4/mmm |
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atom x y z occ |
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Bi1 .037 .037 .1634 .1188 |
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Pb1 .037 .037 .1634 .0063 |
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Bi2 0 0 .1763 .475 |
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Pb2 0 0 .1763 .025 |
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V1 .061 0 .5109 .1125 |
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Pb3 .061 0 .5109 .0125 |
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O1 0 .5 .25 |
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O2 .165 0 .408 .25 |
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O3 .414 0 0 .325 |
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|
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