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Ag Mo2 O13 P3 |
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Hoareau T, Borel M, Grandin A, Leclaire A, Raveau B |
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Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 319 (1994) 47-52 |
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A new silver molybdenum(V) phosphate: csi-Ag (Mo O)2 (P2 O7) (P O4) |
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_cod_database_code 1001628 |
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_database_code_amcsd 0012313 |
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6.376 22.17299 8.718 90 126.1 90 P2_1/c |
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atom x y z |
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Mo1 .26141 .20908 .04469 |
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Mo2 .54754 .43771 .27710 |
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Ag1 .95123 .12682 .30355 |
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P1 .64993 .29621 .42079 |
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P2 .53014 .58391 .14766 |
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P3 .02104 .59975 .79449 |
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O1 .1998 .27720 -.0533 |
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O2 .5872 .18886 .0641 |
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O3 -.0553 .21047 .0450 |
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O4 .0666 .16031 .8019 |
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O5 .5087 .23858 .3143 |
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O6 .3172 .12392 .1812 |
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O7 .7071 .44611 .5109 |
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O8 .4689 .52362 .1948 |
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O9 .5606 .34761 .2772 |
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O10 .1807 .43326 .1980 |
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O11 .8644 .44208 .2764 |
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O12 .3589 .42096 -.0346 |
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O13 .2484 .61616 .0116 |
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Cs8.35 H2 Mo13 O63 P10 |
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Hoareau T, Leclaire A, Borel M, Grandin A, Raveau B |
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European Journal of Solid State and Inorganic Chemistry 31 (1994) 727-737 |
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A zeolitic mixed valence molybdenum monophosphate with a tunnel |
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structure: Cs8+x (Mo O4) Mo12 O18 (P O4)10 .(H2 O) |
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_cod_database_code 1001630 |
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_database_code_amcsd 0012591 |
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16.67799 16.67799 12.717 90 90 120 P6_3/m |
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atom x y z occ |
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Cs1 .13674 .52219 .0517 |
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Cs2 0 0 .5 .797 |
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Cs3 .0419 .1829 .25 .214 |
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Cs4 .0468 .1862 .348 .152 |
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Mo1 .29419 .23782 .3548 |
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Mo2 .4273 .1231 .25 |
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Mo3 .2691 .4384 .25 |
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Mo4 2/3 1/3 .2945 .5 |
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P1 .3827 .1308 .4987 |
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P2 .4574 .4241 .25 |
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P3 1/3 2/3 .218 .5 |
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O1 .1907 .1439 .364 |
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O2 .353 .194 .25 |
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O3 .260 .309 .25 |
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O4 .2654 .3006 .478 |
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O5 .3511 .1987 .475 |
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O6 .4273 .3628 .348 |
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O7 .327 .023 .25 |
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O8 .4410 .1280 .408 |
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O9 .515 .076 .25 |
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O10 .553 .259 .25 |
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O11 .155 .392 .25 |
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O12 .2837 .4501 .408 |
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O13 .305 .570 .25 |
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O14 .413 .487 .25 |
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O15 2/3 1/3 .421 .5 |
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O16 1/3 2/3 .401 .5 |
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O17 0 0 .268 .5 |
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K3(MoO)4(PO4)5 |
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Hoareau T, Leclaire A, Borel M, Grandin A, Raveau B |
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Journal of Solid State Chemistry 114 (1995) 61-65 |
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A Mo(V) monophosphate with a tunnel structure: K3(MoO)4(PO4)5 |
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_cod_database_code 1001644 |
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_database_code_amcsd 0013834 |
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9.676 14.366 28.39099 90 90 90 Pbca |
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atom x y z |
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Mo1 .08166 .07282 .13996 |
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Mo2 .42492 .39753 .35521 |
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Mo3 .15227 .18304 .45592 |
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Mo4 .49008 .22201 .20472 |
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P1 .0978 .38266 .38551 |
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P2 .4091 .09741 .10587 |
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P3 .6632 .28253 .30368 |
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P4 .4813 .24566 .44649 |
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P5 .2861 .17366 .34431 |
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K1 .1457 .46816 .26185 |
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K2 .2861 .3334 .08124 |
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K3 .2373 .4115 .49747 |
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O1 .1371 .0098 .1856 |
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O2 .0077 -.0384 .1032 |
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O3 .2570 .0661 .0997 |
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O4 .8898 .0943 .1645 |
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O5 .1438 .1921 .1701 |
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O6 .0109 .1590 .0821 |
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O7 .3879 .4412 .3022 |
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O8 .2443 .4250 .3874 |
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O9 .6232 .3650 .3358 |
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O10 .5019 .5137 .3826 |
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O11 .3590 .2673 .3433 |
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O12 .4968 .3374 .4198 |
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O13 .1932 .0852 .4847 |
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O14 .3371 .2434 .4697 |
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O15 .2136 .1566 .3916 |
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O16 -.0450 .1391 .4418 |
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O17 .0909 .2533 .5136 |
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O18 .0822 .3135 .4260 |
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O19 .4338 .1308 .2347 |
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O20 .4192 .1758 .1419 |
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O21 .6789 .1668 .1948 |
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O22 .3143 .2975 .2099 |
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O23 .5726 .2910 .2597 |
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O24 .5665 .3403 .1624 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Na3(MoO)4(PO4)5 |
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Leclaire A, Hoareau T, Borel M, Grandin A, Raveau B |
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Journal of Solid State Chemistry 114 (1995) 543-549 |
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A sodium Mo(V) monophosphate with a tunnel structure: Na3(MoO)4(PO4)5 |
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_cod_database_code 1001643 |
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_database_code_amcsd 0013838 |
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16.78899 8.500 16.36099 90 126.34 90 C2/c |
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atom x y z occ |
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Mo1 .13119 .05912 .98397 |
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Mo2 .09579 .43449 .18077 |
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P1 .54982 .25494 .04157 |
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P2 .36614 .07679 .10400 |
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P3 0 .14788 .25 |
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Na1 .35650 .3447 .23134 |
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Na2 .2308 .2242 .4257 .5 |
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O1 .1795 .1308 .0984 |
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O2 .14381 .2459 .91727 |
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O3 .11417 .8355 .01562 |
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O4 .98761 .1188 .91997 |
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O5 .26786 -.0080 .02360 |
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O6 .07523 -.0426 .83912 |
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O7 .21406 .3844 .2363 |
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O8 .03872 .3285 .04909 |
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O9 .0604 .2482 .2279 |
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O10 .11531 .5700 .29214 |
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O11 .11499 .6401 .12883 |
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O12 .94694 .5027 .10368 |
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| Download AMC data (View Text File)
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CsMo2O3(PO4)2 |
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Hoareau T, Leclaire A, Borel M, Grandin A, Raveau B |
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Journal of Solid State Chemistry 116 (1995) 87-91 |
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A mixed valent molybdenum monophosphate with a layer structure: CsMo2O3(PO4)2 |
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_cod_database_code 1001655 |
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_database_code_amcsd 0013861 |
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10.047 8.655 11.597 90 104.27 90 P2_1/c |
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atom x y z |
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Cs1 .09345 .2362 .07226 |
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Mo1 .38233 .2557 .38781 |
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Mo2 .80420 .2240 .27332 |
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P1 .4752 .0810 .1646 |
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P2 .7077 .0863 .5121 |
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O1 .2360 .346 .3225 |
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O2 .3880 .120 .2509 |
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O3 .5043 .405 .3313 |
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O4 .2861 .083 .4504 |
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O5 .397 .369 .5435 |
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O6 .5659 .150 .4741 |
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O7 .953 .134 .2752 |
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O8 .846 .387 .358 |
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O9 .6157 .158 .2001 |
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O10 .7966 .318 .1161 |
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O11 .7847 .094 .4120 |
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| Download AMC data (View Text File)
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Cs Mo8 O33 P4 |
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Hoareau T, Leclaire A, Borel M, Provost J, Raveau B |
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Journal of Solid State Chemistry 128 (1997) 233-240 |
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A mixed valent molybdenum monophosphate with an original cage structure |
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Cs Mo6 O10 (Mo2 O7) (P O4)4 |
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_cod_database_code 1001806 |
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_database_code_amcsd 0013917 |
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9.953 9.953 26.41299 90 90 90 I-42d |
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atom x y z occ |
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Mo1 .1809 .1847 .00729 |
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Mo2 .4785 .504 .10915 .5 |
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Mo3 .1412 .6237 .11410 .5 |
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Cs1 0 .5 .09897 .5 |
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P1 .4905 .2192 .0420 |
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O1 .002 .1824 -.0126 |
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O2 .169 .226 .0684 |
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O3 .198 .374 -.0213 |
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O4 .385 .180 .0029 |
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O5 .215 .131 -.0754 |
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O6 .4700 .3660 .0574 |
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O7 .305 .545 .1101 |
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O8 .532 .633 .1606 |
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O9 0 .5 .09897 .5 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Li Mo3 O16 P3 |
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Hoareau T, Borel M, Leclaire A, Provost J, Raveau B |
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Materials Research Bulletin 30 (1995) 523-529 |
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Structure and antiferromagnetic properties of a mixed valent molybdeno |
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monophosphate of lithium |
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_cod_database_code 1001635 |
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_database_code_amcsd 0014371 |
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6.374 7.709 12.529 80.03 77.62 81.80 P-1 |
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atom x y z |
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Mo1 .20441 .21091 .53075 |
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Mo2 .40945 .74102 .16096 |
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Mo3 .03722 .19637 .15127 |
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Li1 .586 .327 .328 |
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P1 .55902 .15595 .11041 |
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P2 .31114 .84135 .42733 |
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P3 .05684 .48506 .31352 |
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O1 .1981 .0453 .6355 |
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O2 -.0987 .2284 .5128 |
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O3 .5244 .2478 .5 |
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O4 .2952 .0431 .4150 |
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O5 .1342 .4158 .6163 |
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O6 .2327 .3988 .3781 |
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O7 .0623 .2886 .0190 |
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O8 -.0490 .3437 .2734 |
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O9 .7154 .1913 .1819 |
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O10 .1191 -.0255 .1513 |
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O11 .3347 .2344 .1655 |
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O12 .6072 .5774 .1661 |
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O13 .3728 .7471 .0057 |
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O14 .1532 .6077 .2097 |
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O15 .3816 .7895 .3130 |
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O16 .5671 .9580 .1095 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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