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K Mo O12 P3 W |
| |
Benmoussa A, Leclaire A, Grandin A, Raveau B |
 |
Acta Crystallographica C45 (1989) 1277-1279 |
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K Mo W P3 O12, a tunnel structure of the K Mo2 P3 O12 - type |
|
_cod_database_code 1001393 |
|
_database_code_amcsd 0010080 |
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8.8180 9.1574 12.3836 90 90 90 Pbcm |
|
atom x y z occ |
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Mo1 .24595 .02674 .10083 .5 |
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W1 .24595 .02674 .10083 .5 |
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K1 -.1788 .1620 .25 |
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P1 -.0299 .25 0 |
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P2 .4042 .3660 .1310 |
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O1 .2071 .0184 .25 |
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O2 .1279 -.1586 .0744 |
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O3 .30128 .0411 -.0620 |
|
O4 .3804 .2040 .1204 |
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O5 .4309 -.1031 .1204 |
|
O6 .0621 .1536 .0749 |
|
O7 .3526 .4138 .25 |
|
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|
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K O25 P6 Si2 Ti3 |
| |
Benmoussa A, Borel M, Grandin A, Leclaire A, Raveau B |
|
Acta Crystallographica C47 (1991) 936-938 |
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Structure of mixed-valent titanium silicophosphates, K Ti3 P6 Si2 O25 |
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and Cs Ti3 P6 Si2 O25 |
|
_cod_database_code 1001857 |
|
_database_code_amcsd 0010252 |
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8.2648 8.2648 17.03799 90 90 120 P-31c |
|
atom x y z |
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K1 1/3 2/3 .25 |
|
Ti1 1/3 2/3 .02516 |
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Ti2 2/3 1/3 .25 |
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P1 .38255 .3315 .11022 |
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Si1 0 0 .09281 |
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O1 .1190 .5991 .0953 |
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O2 .8132 .2566 .4576 |
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O3 .4784 .3386 .1865 |
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O4 0 0 0 |
|
O5 .0235 .8310 .1264 |
|
|
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|
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Cs O25 P6 Si2 Ti3 |
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Benmoussa A, Borel M, Grandin A, Leclaire A, Raveau B |
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Acta Crystallographica C47 (1991) 936-938 |
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Structure of mixed-valent titanium silicophosphates, K Ti3 P6 Si2 O25 |
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and Cs Ti3 P6 Si2 O25 |
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_cod_database_code 1001858 |
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_database_code_amcsd 0010253 |
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8.2145 8.2145 17.24899 90 90 120 P-31c |
|
atom x y z |
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Cs1 1/3 2/3 .25 |
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Ti1 1/3 2/3 .02293 |
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Ti2 2/3 1/3 .25 |
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P1 .38368 .3311 .10965 |
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Si1 0 0 .09176 |
|
O1 .1147 .5926 .0906 |
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O2 .8056 .2473 .4552 |
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O3 .4789 .3420 .1861 |
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O4 0 0 0 |
|
O5 .0278 .8322 .1259 |
|
|
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|
| |
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O4 P Ti |
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Leclaire A, Benmoussa A, Borel M, Grandin A, Raveau B |
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European Journal of Solid State and Inorganic Chemistry 28 (1991) 1323-1333 |
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TiPO4, a titanium orthophosphate with a CrVO4 sublattice |
|
_cod_database_code 1001530 |
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_database_code_amcsd 0012546 |
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4.7598 6.3493 17.7599 90 97.39 90 P2_1/m |
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atom x y z |
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Ti1 .7441 .4990 .12483 |
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Ti2 .2480 .4944 .37358 |
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P1 .2757 .75 .21272 |
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P2 .7240 .25 .2866 |
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P3 .7742 .75 .46190 |
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P4 .2255 .25 .0380 |
|
O1 .663 .25 .2006 |
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O2 .5631 .75 .1849 |
|
O3 .941 .25 .0726 |
|
O4 .817 .75 .0509 |
|
O5 .3861 .4467 .0645 |
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O6 .1158 .5505 .1853 |
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O7 .8869 .4473 .3136 |
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O8 .6138 .5523 .4360 |
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O9 .056 .75 .4297 |
|
O10 .175 .25 .4518 |
|
O11 .4227 .25 .3203 |
|
O12 .3210 .75 .3037 |
|
|
| Download AMC data (View Text File)
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|
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Cu3 O21 Rb Ta7 |
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Benmoussa A, Groult D, Studer F, Raveau B |
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Journal of Solid State Chemistry 41 (1982) 221-226 |
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Intergrowth of Hexagonal Tungsten Bronze and Perovskite-like |
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Structures: The Oxides A Cu3 M7 O21 (A = K, Rb, Cs, Tl; M = Nb, Ta) |
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_cod_database_code 1001218 |
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_database_code_amcsd 0013465 |
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28.11 7.503 7.548 90 90 90 Cmmm |
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atom x y z occ |
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Rb1 0 0 0 |
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Rb2 0 0 .5 |
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Cu1 .173 0 .5 |
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Cu2 .321 0 .5 .5 |
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Cu3 .318 0 0 |
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Cu4 .183 0 0 .5 |
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Ta1 0 .5 .244 |
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Ta2 .1131 .2477 .255 |
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Ta3 .25 .25 .252 |
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O1 .088 0 .248 |
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O2 .274 0 .220 |
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O3 .366 0 .202 |
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O4 .179 .164 .280 |
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O5 .046 .304 .280 |
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O6 .124 .322 .5 |
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O7 .128 .187 0 |
|
O8 .236 .323 .5 .5 |
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O9 .238 .186 0 .5 |
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O10 .5 0 .5 |
|
O11 .5 0 0 |
|
|
| Download AMC data (View Text File)
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|
| |
|
O38 P4 W10 |
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Benmoussa A, Labbe P, Groult D, Raveau B |
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Journal of Solid State Chemistry 44 (1982) 318-325 |
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Mixed Valence Tungsten Oxides with a Tunnel Structure, |
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P4W4nO12n+8: A Nonintegral Member P4 W10 O38 (n=2.5) |
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_cod_database_code 1001234 |
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_database_code_amcsd 0013493 |
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6.5656 5.2850 20.573 90 96.18 90 P2_1 |
|
atom x y z |
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W1 .5392 .25 .10908 |
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W2 .4714 .2585 .38890 |
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W3 .1785 .2575 .53569 |
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W4 .8898 .2587 .68304 |
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W5 .1496 .2471 .96227 |
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P1 .7874 .2596 .2641 |
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P2 .7468 .2300 .8402 |
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O1 .3552 .2311 .0349 |
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O2 .7008 .2347 .1948 |
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O3 .6067 .2413 .3080 |
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O4 .3175 .2302 .4605 |
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O5 .6850 .5154 .0854 |
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O6 .7092 .0214 .0754 |
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O7 .3580 .4722 .1547 |
|
O8 .3839 .9578 .1404 |
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O9 .9355 .0437 .2805 |
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O10 .9066 .5097 .2728 |
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O11 .6254 .5303 .4208 |
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O12 .6665 .0403 .4278 |
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O13 .3123 -.0184 .3523 |
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O14 .2600 .4809 .3420 |
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O15 .9812 .4664 .4948 |
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O16 .9565 .2383 .8802 |
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O17 .7794 .2702 .7695 |
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O18 .0332 .2546 .6131 |
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O19 -.0067 .4641 .0041 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Na O7 P2 Ti |
| |
Leclaire A, Benmoussa A, Borel M, Grandin A, Raveau B |
| |
Journal of Solid State Chemistry 77 (1988) 299-305 |
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Two forms of sodium titanium(III) diphosphate: alpha-Na Ti P2 O7 |
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closely related to beta-Cristobalite and beta-Na Ti P2 O7 |
|
isotypic with Na Fe P2 O7 |
|
_cod_database_code 1001384 |
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_database_code_amcsd 0013628 |
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8.697 5.239 13.293 90 116.54 90 P2_1/c |
|
atom x y z |
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Ti1 .26328 .2371 .02956 |
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P1 .1667 .7550 .14509 |
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P2 .6839 .2771 .11568 |
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Na1 .4473 .2704 .3103 |
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O1 .0180 .257 -.0581 |
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O2 .5218 .2267 .1304 |
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O3 .2531 .0114 .1533 |
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O4 .2947 -.0954 -.0364 |
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O5 .3067 .4436 -.0878 |
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O6 .2729 .5395 .1335 |
|
O7 .1610 .7180 .2634 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Na O7 P2 Ti |
| |
Leclaire A, Benmoussa A, Borel M, Grandin A, Raveau B |
| |
Journal of Solid State Chemistry 77 (1988) 299-305 |
|
Two forms of sodium titanium(III) diphosphate: alpha-Na Ti P2 O7 |
|
closely related to beta-Cristobalite and beta-Na Ti P2 O7 |
|
isotypic with Na Fe P2 O7 |
|
_cod_database_code 1001385 |
|
_database_code_amcsd 0013629 |
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7.394 7.936 9.726 90 111.85 90 P2_1/c |
|
atom x y z |
|
Ti1 .26076 .00861 .24891 |
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P1 .0719 .2547 .4556 |
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P2 -.3269 .2127 .4547 |
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Na1 .2841 .4788 .2918 |
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O1 .5355 .0863 .3529 |
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O2 .3063 -.2014 .3849 |
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O3 .1755 .1357 .3917 |
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O4 -.0130 -.0838 .1343 |
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O5 .1854 .2159 .1192 |
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O6 .3685 -.1084 .1024 |
|
O7 -.1249 .1566 .4405 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
K1.75 O12 P3 Ti2 |
| |
Leclaire A, Benmoussa A, Borel M, Grandin A, Raveau B |
| |
Journal of Solid State Chemistry 78 (1989) 227-231 |
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K2-x Ti2 (P O4)3 with 0< x< 0.5: A Mixed-Valence |
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Nonstoichiometric Titanophosphate with Langbeinite Structure |
|
_cod_database_code 1001395 |
|
_database_code_amcsd 0013636 |
|
9.8559 9.8559 9.8559 90 90 90 P2_13 |
|
atom x y z occ |
|
Ti1 .58721 .58721 .58721 |
|
Ti2 .85809 .85809 .85809 |
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K1 .29175 .29175 .29175 |
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K2 .06618 .06618 .06618 .75 |
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P1 .27407 -.37213 .45889 |
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O1 .00066 .07490 .35238 |
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O2 .26636 -.42225 .31360 |
|
O3 .47087 .05361 .29809 |
|
O4 .20400 -.23500 .47771 |
|
|
| Download AMC data (View Text File)
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|
| |
|
K2 O12 P3 Ti2 |
| |
Leclaire A, Benmoussa A, Borel M, Grandin A, Raveau B |
| |
Journal of Solid State Chemistry 78 (1989) 227-231 |
|
K2-x Ti2 (P O4)3 with 0< x< 0.5: A Mixed-Valence |
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Nonstoichiometric Titanophosphate with Langbeinite Structure |
|
_cod_database_code 1001396 |
|
_database_code_amcsd 0013637 |
|
9.8688 9.8688 9.8688 90 90 90 P2_13 |
|
atom x y z |
|
Ti1 .66257 .66257 .66257 |
|
Ti2 .39258 .39258 .39258 |
|
K1 .95591 .95591 .95591 |
|
K2 .18437 .18437 .18437 |
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P1 .47556 .70937 .37811 |
|
O1 .60215 .82705 .75011 |
|
O2 .45286 .3046 .21980 |
|
O3 .48428 .56425 .32696 |
|
O4 .54510 .72680 .51655 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Mg3 O24 P6 Ti4 |
| |
Benmoussa A, Borel M, Grandin A, Leclaire A, Raveau B |
| |
Journal of Solid State Chemistry 84 (1990) 299-307 |
|
A new phosphate of trivalent titanium Mg3Ti4P6O24 |
|
_cod_database_code 1001440 |
|
_database_code_amcsd 0013672 |
|
6.3911 7.9616 9.4299 67.614 69.348 79.327 P-1 |
|
atom x y z occ |
|
Ti1 .97299 .22092 .47552 |
|
Ti2 .77344 .03995 .12286 .667 |
|
Mg1 .77344 .03995 .12286 .333 |
|
Ti3 .5 .5 0 .667 |
|
Mg2 .5 .5 0 .333 |
|
Mg3 .49665 .68976 .28653 |
|
P1 .04248 .64357 .22790 |
|
P2 .52306 .27522 .36916 |
|
P3 .25010 .08515 .16701 |
|
O1 .85261 .31374 .66518 |
|
O2 -.0020 .44417 .29391 |
|
O3 -.3728 .28525 .49140 |
|
O4 .2844 .2240 .46119 |
|
O5 .0974 .04202 .34575 |
|
O6 .46264 .95653 .16568 |
|
O7 .81889 .75637 .22662 |
|
O8 .7856 .31067 .94403 |
|
O9 .6636 .13884 .29106 |
|
O10 .88489 .96158 .91927 |
|
O11 .5303 .46389 .23290 |
|
O12 .3179 .27954 .08618 |
|
|
| Download AMC data (View Text File)
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|
| |
|
K7.333 O48.667 P12 V10 |
| |
Benmoussa A, Borel M, Grandin A, Leclaire A, Raveau B |
| |
Journal of Solid State Chemistry 97 (1992) 314-318 |
|
Langbeinite, a host lattice for "V3O" clusters: the trivalent |
|
vanadium phosphate K11V15P18O73 |
|
_cod_database_code 1001555 |
|
_database_code_amcsd 0013733 |
|
9.896 9.896 9.896 90 90 90 P2_13 |
|
atom x y z occ |
|
P1 .4804 .7101 .3753 |
|
V1 .66315 .66315 .66315 |
|
V2 .39579 .39579 .39579 |
|
V3 .4674 .1742 .5895 .1667 |
|
K1 .1812 .1812 .1812 |
|
K2 .9562 .9562 .9562 .8333 |
|
O1 .5993 .8337 .7494 |
|
O2 .4552 .3018 .2300 |
|
O3 .4905 .5632 .3288 |
|
O4 .5599 .7336 .5061 |
|
O5 -.016 -.016 -.016 .1667 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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