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K O7 P2 V |
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Benhamada L, Grandin A, Borel M, Leclaire A, Raveau B |
 |
Acta Crystallographica C47 (1991) 424-425 |
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Structure of KVP2O7 |
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_cod_database_code 1001430 |
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_database_code_amcsd 0010247 |
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7.3686 10.0527 8.1874 90 106.580 90 P2_1/c |
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atom x y z |
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V1 .23510 .10036 .26134 |
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P1 .13510 .40356 .33024 |
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P2 .44366 .36225 .19165 |
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K1 .82177 .17838 .44649 |
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O1 .1445 .0908 .0151 |
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O2 .3213 .1077 .5136 |
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O3 -.0025 .0050 .2788 |
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O4 .4554 .2162 .2413 |
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O5 .3591 -.0792 .2689 |
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O6 .0831 .2650 .2556 |
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O7 .3425 .4385 .3158 |
|
|
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|
| |
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K O5 P V |
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Benhamada L, Grandin A, Borel M, Leclaire A, Raveau B |
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Acta Crystallographica C47 (1991) 1138-1141 |
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KVPO5, an intersecting tunnel structure closely related to the |
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hexagonal tungsten bronze |
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_cod_database_code 1001464 |
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_database_code_amcsd 0010256 |
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12.7640 10.5153 6.3648 90 90 90 Pn2_1a |
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atom x y z |
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V1 .12417 .25 -.0038 |
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V2 .24842 .49719 .2750 |
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P1 .18046 .2337 .4976 |
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P2 -.0028 .4879 .1681 |
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K1 .3806 .4332 .7812 |
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K2 .3971 .1794 .2057 |
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O1 .1119 .2051 .3054 |
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O2 .1104 .2622 .6866 |
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O3 .0092 .3683 .0278 |
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O4 .0182 .1021 -.0232 |
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O5 .2272 .1032 -.0395 |
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O6 .2202 .3538 .0334 |
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O7 .3991 .4666 .1950 |
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O8 .2474 .6177 .0373 |
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O9 .0931 .5047 .3109 |
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O10 .2557 .3449 .4521 |
|
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Ba O14 P4 V2 |
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Benhamada L, Grandin A, Borel M, Leclaire A, Raveau B |
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Acta Crystallographica C47 (1991) 2437-2438 |
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Structure of barium vanadium(III) diphosphate |
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_cod_database_code 1001510 |
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_database_code_amcsd 0010267 |
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10.6213 10.4685 9.7063 90 103.074 90 C2/c |
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atom x y z |
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Ba1 .25 .25 .5 |
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V1 0 .5480 .25 |
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V2 0 0 0 |
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P1 .0606 .3105 .0571 |
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P2 .2810 .4571 .2015 |
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O1 .0673 .3348 -.0937 |
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O2 -.0323 .4008 .1073 |
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O3 .0226 .1742 .0823 |
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O4 .2005 .3276 .1567 |
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O5 .3505 .4925 .0874 |
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O6 .1825 .5593 .2114 |
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O7 .3705 .4181 .3393 |
|
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K6 O16 P4 V2 |
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Benhamada L, Grandin A, Borel M, Leclaire A, Raveau B |
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Journal of Solid State Chemistry 91 (1991) 264-270 |
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A new vanadium III potassium phosphate with a cage structure: |
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K6V2P4O16 |
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_cod_database_code 1001477 |
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_database_code_amcsd 0013708 |
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9.578 11.097 18.127 90 121.67 90 P2_1/c |
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atom x y z |
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V1 .5541 .1308 .1316 |
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V2 .0394 .6560 .6140 |
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K1 .2896 .1185 .4940 |
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K2 .7416 .1006 .0015 |
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K3 .4336 .0766 .3178 |
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K4 .4466 .3612 .2596 |
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K5 .0409 .0973 .2468 |
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K6 .9808 .3812 .0800 |
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P1 .2107 .8617 .6464 |
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P2 .3272 .3613 .4080 |
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P3 .1770 .1234 .1000 |
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P4 .7215 .3362 .1644 |
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O1 .446 .1538 .0069 |
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O2 .5437 .3142 .1467 |
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O3 .3462 .0730 .1217 |
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O4 .6549 .1071 .2594 |
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O5 .7658 .2092 .1477 |
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O6 .603 -.0419 .1238 |
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O7 .1668 .6244 .7417 |
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O8 .0399 .8452 .6342 |
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O9 -.088 .6940 .4877 |
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O10 .0699 .4851 .5927 |
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O11 .8409 .5976 .6104 |
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O12 .2437 .7337 .6223 |
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O13 .216 .9594 .5879 |
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O14 .3178 .2440 .3655 |
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O15 .1968 .2086 .1704 |
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O16 .722 .4353 .1051 |
|
|
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|
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|
O31 P6 Rb6 V6 |
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Benhamada L, Grandin A, Borel M, Leclaire A, Raveau B |
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Journal of Solid State Chemistry 94 (1991) 274-280 |
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A mixed valence vanadium phosphate with a tunnel structure: |
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Rb6V6P6O31 |
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_cod_database_code 1001498 |
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_database_code_amcsd 0013720 |
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7.0656 13.4988 14.4198 90 90 90 Pnma |
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atom x y z occ |
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Rb1 .0962 .00833 .16277 |
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Rb2 .1080 .25 .99396 |
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V1 .1492 .1246 .4231 |
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V2 .2598 .75 .2401 |
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P1 .0421 .8999 .3809 |
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P2 .3523 .25 .2603 .5 |
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P3 .2637 .25 .2402 .5 |
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O1 .3235 .0684 .4716 |
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O2 .205 .25 .4560 |
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O3 .0275 .0124 .3586 |
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O4 -.0551 .1170 .5138 |
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O5 .2645 .1569 .2972 |
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O6 .045 .75 .2000 |
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O7 .3646 .6477 .1590 |
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O8 .2219 .6432 .3364 |
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O9 .390 .25 .1582 |
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O10 .058 .25 .190 .5 |
|
|
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|
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H2 Na5 O15 P3 V2 |
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Benhamada L, Grandin A, Borel M, Leclaire A, Leblanc M, Raveau B |
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Journal of Solid State Chemistry 96 (1992) 390-396 |
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Na5 V2 P3 O14 . H2 O, a tetravalent vanadium phosphate with alayer |
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structure and a pure pyramidal coordination of V(IV) |
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_cod_database_code 1000472 |
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_database_code_amcsd 0013726 |
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6.3089 20.10379 5.1172 90 91.134 90 Cm |
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atom x y z |
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V1 .5 .15103 .5 |
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P1 -.0030 .1856 .5153 |
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P2 .6507 0 .558 |
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Na1 .832 .0858 .028 |
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Na2 .2546 .2401 -.004 |
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Na3 .179 0 .614 |
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O1 .244 0 .115 |
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O2 -.015 .1887 .224 |
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O3 .501 .1542 .210 |
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O4 .196 .1476 .622 |
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O5 .502 .2441 .644 |
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O6 .803 .1492 .634 |
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O7 .503 .0599 .632 |
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O8 .847 0 .734 |
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O9 .699 0 .273 |
|
|
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|
| |
|
KV3P4O17 |
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Benhamada L, Grandin A, Borel M, Leclaire A, Raveau B |
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Journal of Solid State Chemistry 97 (1992) 131-140 |
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A new mixed-valence vanadium phosphate with an intersecting tunnel |
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structure: KV3P4O17 |
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_cod_database_code 1001593 |
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_database_code_amcsd 0013732 |
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7.8654 10.0104 16.2715 90 90 90 P2_12_12_1 |
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atom x y z |
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V1 .7880 .3222 .1529 |
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V2 .2910 .2473 .4940 |
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V3 .2846 .3185 .1521 |
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P1 .1912 .6357 .1860 |
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P2 .1997 .5614 .4655 |
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P3 .1902 .1368 .3143 |
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P4 .192 .0607 .0367 |
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K1 .504 .4553 .3214 |
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O1 .998 .332 .1631 |
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O2 .729 .248 .2660 |
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O3 .486 .312 .1442 |
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O4 .760 .137 .111 |
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O5 .717 .503 .198 |
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O6 .777 .382 .042 |
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O7 .313 .327 .5958 |
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O8 .258 .084 .552 |
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O9 .483 .229 .464 |
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O10 .254 .414 .447 |
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O11 .177 .173 .406 |
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O12 .274 .502 .200 |
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O13 .223 .390 .040 |
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O14 .266 .247 .265 |
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O15 .228 .135 .115 |
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O16 .002 .621 .2156 |
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O17 .003 .560 .481 |
|
|
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|
| |
|
Na2 O8 P2 V |
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Benhamada L, Grandin A, Borel M, Leclaire A, Raveau B |
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Journal of Solid State Chemistry 101 (1992) 154-160 |
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Na2VP2O8: A Tetravalent Vanadium Diphosphate with a Layered Structure |
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_cod_database_code 1001539 |
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_database_code_amcsd 0013754 |
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7.7178 13.3233 6.287 90 99.49 90 P2_1/c |
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atom x y z |
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V1 .22827 .42441 .27003 |
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P1 .35999 .62441 .54265 |
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P2 .17255 .48123 .75090 |
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Na1 .0735 .70519 .1615 |
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Na2 .5190 .36430 .9288 |
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O1 .3635 .5616 .3562 |
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O2 .4659 .3591 .3033 |
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O3 .1118 .3265 .1913 |
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O4 .2299 .40891 .5899 |
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O5 .0227 .5227 .2451 |
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O6 .2803 .4643 -.0263 |
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O7 .2184 .59215 .6856 |
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O8 .2864 .73565 .4742 |
|
|
| Download AMC data (View Text File)
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|
| |
|
KV4P7O24 |
| |
Benhamada L, Grandin A, Borel M, Leclaire A, Raveau B |
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Journal of Solid State Chemistry 104 (1993) 193-201 |
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A vanadium(III) phosphate with V2O10 octahedral units: KV4P7O24 |
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_cod_database_code 1001564 |
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_database_code_amcsd 0013776 |
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10.0846 10.2309 10.8283 112.757 109.226 104.675 P-1 |
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atom x y z |
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V1 .75498 .14970 .25561 |
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V2 .37412 .22301 .88604 |
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V3 .07363 .68772 .07401 |
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V4 .42673 .58143 .41113 |
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P1 .38321 .93742 .11691 |
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P2 .50103 .27387 .24211 |
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P3 .24365 .81280 .43424 |
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P4 .30263 .51073 .05170 |
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P5 .99840 .00662 .22450 |
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P6 .06493 .32096 .26257 |
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P7 .27241 .13098 .52037 |
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K1 .86440 .57356 .32447 |
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O1 .9650 .3223 .3413 |
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O2 .5537 -.0451 .1739 |
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O3 .6906 .1085 .0473 |
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O4 .6707 .3016 .2972 |
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O5 .8275 .1810 .4606 |
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O6 .8330 -.0211 .1979 |
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O7 .2677 .3530 -.0790 |
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O8 .4323 .2682 .0949 |
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O9 .5868 .3615 -.0465 |
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O10 .2770 .1781 .6701 |
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O11 .1106 .7126 .2713 |
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O12 .2904 .8387 .1580 |
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O13 .0022 .6650 .8746 |
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O14 .8620 .4885 -.0102 |
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O15 .0154 .8714 .1277 |
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O16 .2299 .4409 .3745 |
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O17 .4898 .3945 .3726 |
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O18 .3749 .7671 .4623 |
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O19 .6400 .7391 .4934 |
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O20 .3682 .5274 .2067 |
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O21 .4020 .1099 .2180 |
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O22 .3177 .9912 .4671 |
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O23 .0668 .1482 .2040 |
|
O24 .0922 .0635 .4002 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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