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Nb9 O25 P |
| |
Benabbas A, Borel M, Grandin A, Leclaire A, Raveau B |
 |
Acta Crystallographica C47 (1991) 849-850 |
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Redetermination of the structure of PNb9O25 |
|
_cod_database_code 1001529 |
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_database_code_amcsd 0010248 |
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15.639 15.639 3.8317 90 90 90 I4/m |
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atom x y z occ |
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Nb1 0 0 .043 .5 |
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Nb2 .1086 .2178 0 |
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Nb3 .3291 .1158 0 |
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P1 .5 0 .25 .5 |
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O1 .0461 .115 0 |
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O2 .2204 .1733 0 |
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O3 .1557 .3553 0 |
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O4 .2852 .0112 0 |
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O5 .4491 .0685 0 |
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O6 .3872 .2469 0 |
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O7 0 0 .5 |
|
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|
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K3 Nb8 O21 |
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Benabbas A, Borel M, Grandin A, Leclaire A, Raveau B |
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Acta Crystallographica C49 (1993) 439-441 |
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Single-crystal structure of K3 Nb8 O21 |
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_cod_database_code 1001860 |
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_database_code_amcsd 0010282 |
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9.1584 9.1584 12.0404 90 90 120 P6_3/mcm |
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atom x y z |
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Nb1 2/3 1/3 0 |
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Nb2 .24888 .24888 .09468 |
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K1 .5938 .5938 .25 |
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O1 .4818 .3143 .0958 |
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O2 .2006 0 .0740 |
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O3 .2070 .2070 .25 |
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|
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Nb3 O15 P3 Rb |
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Borel M, Benabbas A, Rebbah H, Grandin A, Leclaire A, Raveau B |
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European Journal of Solid State and Inorganic Chemistry 27 (1990) 525-535 |
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A large family of niobium phosphate bronzes and bronzoids with |
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KNb3P3O15 structure |
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_cod_database_code 1001461 |
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_database_code_amcsd 0012531 |
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13.352 14.760 6.457 90 90 90 Pnnm |
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atom x y z occ |
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Nb1 .4372 .3877 0 |
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Nb2 .6906 .2751 0 |
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Nb3 .3585 -.0243 0 |
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Rb1 .0098 .3270 .044 .5 |
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P1 .2718 .2044 0 |
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P2 .3736 .3802 .5 |
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P3 .2073 .5049 0 |
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O1 .5 .5 0 |
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O2 .301 .448 0 |
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O3 .360 .267 0 |
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O4 .564 .324 0 |
|
O5 .4415 .3872 .307 |
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O6 .768 .3944 0 |
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O7 .634 .1511 0 |
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O8 .829 .2148 0 |
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O9 .7039 .2792 .313 |
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O10 .296 .4549 .5 |
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O11 .311 .1065 0 |
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O12 .1409 .4819 .190 |
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O13 .5 0 0 |
|
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|
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K7 Nb14.13 O60 P8.87 |
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Leclaire A, Benabbas A, Borel M, Grandin A, Raveau B |
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Journal of Solid State Chemistry 83 (1989) 245-254 |
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A Niobium Phosphate Bronze Closely Related to the ITB Tumgsten Bronzes: |
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K7 Nb14+x P9-x O6$0 (x= 0.13) |
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_cod_database_code 1001417 |
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_database_code_amcsd 0013667 |
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36.883 10.603 6.4526 90 90 90 Pmma |
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atom x y z occ |
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Nb1 .44489 .1762 .2429 |
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Nb2 .34235 .1775 .2539 |
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Nb3 .44584 .5 .0173 |
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Nb4 .25 .1830 .4548 |
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Nb5 .34155 .5 .0438 |
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P1 .67583 .2380 .2473 |
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P2 .53909 .2367 .2548 |
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P3 .25 .5 .276 .864 |
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Nb6 .25 .5 .276 .136 |
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K1 .6071 0 .256 |
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K2 .25 0 -.042 |
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K3 .5 .5 .5 |
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K4 .3885 .5 .5326 |
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K5 .75 .5 .226 |
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O1 .3953 .1603 .235 |
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O2 .4415 .3667 .205 |
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O3 .5525 .1619 .069 |
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O4 .4983 .2265 .272 |
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O5 .5580 .1817 .446 |
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O6 .4563 0 .255 |
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O7 .3403 0 .291 |
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O8 .6612 .1618 .060 |
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O9 .6510 .2041 .434 |
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O10 .3468 .3640 .224 |
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O11 .2896 .1840 .275 |
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O12 .5514 .3761 .237 |
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O13 .5 .5 0 |
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O14 .3905 .5 -.036 |
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O15 .2843 .5 .124 |
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O16 .6730 .377 .200 |
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O17 .7148 .1996 .290 |
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O18 .25 .379 .425 |
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O19 .25 0 .486 |
|
|
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|
| |
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K3 Nb6 O26 P4 |
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Benabbas A, Borel M, Grandin A, Leclaire A, Raveau B |
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Journal of Solid State Chemistry 84 (1990) 365-374 |
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A novel niobium phosphate bronze with a tunnel structure, |
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K3Nb6P4O26, member n=infinity of the series |
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(K3Nb6P4O26)n . KNb2PO8 |
|
_cod_database_code 1001441 |
|
_database_code_amcsd 0013673 |
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14.7484 31.582 9.3859 90 90 90 Pnma |
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atom x y z |
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Nb1 .0996 .69040 .3636 |
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Nb2 .0896 .56795 .3625 |
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Nb3 .0996 .44548 .3684 |
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Nb4 .2049 .69011 .0066 |
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Nb5 .2904 .69061 .6324 |
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Nb6 .5079 .44003 .5014 |
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K1 .3676 .75 .248 |
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K2 .4636 .25 .25 |
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K3 .0963 .6240 .7248 |
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K4 .3348 .5032 .2525 |
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P1 .4868 .6714 .4470 |
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P2 .0853 .3320 .4201 |
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P3 .2190 .4200 .0779 |
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P4 .2076 .5792 .0567 |
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O1 .069 .75 .354 |
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O2 -.003 .6789 .213 |
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O3 .0057 .6869 .528 |
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O4 .1924 .6973 .497 |
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O5 .183 .6946 .209 |
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O6 .098 .6253 .385 |
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O7 .010 .5641 .208 |
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O8 -.001 .5520 .499 |
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O9 .1901 .5647 .526 |
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O10 .1956 .5697 .217 |
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O11 .114 .5020 .351 |
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O12 .0241 .4355 .203 |
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O13 .200 .4423 .517 |
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O14 .2107 .4354 .229 |
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O15 .088 .3798 .417 |
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O16 .213 .75 -.008 |
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O17 .0692 .6925 -.029 |
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O18 .3388 .6873 .023 |
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O19 .218 .6821 -.206 |
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O20 .209 .6259 .022 |
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O21 .299 .75 .647 |
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O22 .397 .6854 .766 |
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O23 .3998 .6947 .488 |
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O24 .285 .6272 .575 |
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O25 .5 .5 .5 |
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O26 .371 .4409 .476 |
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O27 .6473 .4396 .520 |
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O28 .514 .3755 .509 |
|
|
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|
| |
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K4 Nb8 O34 P5 |
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Benabbas A, Borel M, Grandin A, Leclaire A, Raveau B |
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Journal of Solid State Chemistry 87 (1990) 360-365 |
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The niobium phosphate bronze K5-xNb8P5O34, a new tunnel |
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structure, first member of the series (K3Nb6P4O26)n . |
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KNb2PO8 |
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_cod_database_code 1001449 |
|
_database_code_amcsd 0013681 |
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13.904 6.453 20.64 90 125.05 90 P2/c |
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atom x y z occ |
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Nb1 .16613 .98280 .05406 |
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Nb2 .24102 .99468 .26477 |
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Nb3 .53830 .77407 .35353 |
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Nb4 .74862 .77185 .56941 |
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P1 0 .1529 .25 |
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P2 .22103 .4980 .05104 |
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P3 .30488 .4971 .31915 |
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K1 .5 .2743 .25 |
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K2 .4396 .7474 .5162 .5 |
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K3 .0092 .6430 .1360 .45 |
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K4 .0444 .504 .1279 .32 |
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K5 .0571 .6856 .3357 .23 |
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O1 0 0 0 |
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O2 .1895 -.0175 .1619 |
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O3 .3447 -.0349 .1235 |
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O4 .1734 -.0525 -.0330 |
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O5 .1732 .2900 .0573 |
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O6 .1544 .6721 .0618 |
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O7 .4083 -.0397 .3165 |
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O8 .2768 .0353 .3778 |
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O9 .0728 .0114 .2331 |
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O10 .2509 .3056 .2636 |
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O11 .2255 .6871 .2733 |
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O12 .6055 .7849 .4697 |
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O13 .4290 .5329 .3404 |
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O14 .6475 .5147 .3830 |
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O15 .5 .7214 .25 |
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O16 .6910 .5382 .6059 |
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O17 .8020 .5173 .5308 |
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O18 .9181 .7127 .6770 |
|
|
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|
| |
|
Na4 Nb8 O35 P6 |
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Benabbas A, Borel M, Grandin A, Leclaire A, Raveau B |
| |
Journal of Solid State Chemistry 89 (1990) 75-82 |
|
A niobium phosphate bronze closely related to the tungsten phosphate |
|
bronzes family: Na4Nb8P6O35 |
|
_cod_database_code 1001447 |
|
_database_code_amcsd 0013686 |
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8.4992 15.3390 10.5913 90 90 90 Pbam |
|
atom x y z occ |
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Nb1 .09915 .10776 .18127 |
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Nb2 .0776 .42436 .5 |
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Nb3 -.0016 .4877 .1735 .5 |
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P1 .1972 .0928 .5 |
|
P2 .2122 .3218 .2336 |
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Na1 .4102 .2916 .5 |
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Na2 .441 .2103 0 |
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O1 .075 .1178 0 |
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O2 .1074 .1223 .3809 |
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O3 .200 .2237 .184 .5 |
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O4 .133 .2460 .177 .5 |
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O5 .391 .3158 .209 .5 |
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O6 .372 .3510 .207 .5 |
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O7 .285 .0484 .176 .5 |
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O8 .316 .0890 .179 .5 |
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O9 .036 -.0073 .1976 .5 |
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O10 0 .5 .3571 |
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O11 .364 .1384 .5 |
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O12 .1761 .3292 .3744 |
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O13 .221 -.0066 .5 |
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O14 0 .5 0 |
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O15 .087 .3736 .163 .5 |
|
O16 .141 .4025 .162 .5 |
|
|
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|
| |
|
K2 Na1.73 Nb8 O34 P5 |
| |
Benabbas A, Borel M, Grandin A, Chardon J, Leclaire A, Raveau B |
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Journal of Solid State Chemistry 91 (1991) 323-330 |
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The niobium phosphate bronze beta-K2Na2-xNb8P5O34, second |
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form of the first member of the series (K3Nb6P4O26)nKNb2PO8 |
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_cod_database_code 1001478 |
|
_database_code_amcsd 0013709 |
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10.612 10.612 6.384 90 90 90 P-4m2 |
|
atom x y z occ |
|
Nb1 .5 .18295 .20093 |
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Nb2 .17682 .17682 0 |
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P1 .5 .5 0 |
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P2 .24040 .24040 .5 |
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O1 .5 0 .256 |
|
O2 .3649 .1753 .0200 |
|
O3 .3793 .2155 .4548 |
|
O4 .5 .3841 .151 |
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O5 .1776 0 .0340 |
|
O6 .1592 .1978 .3114 |
|
Na1 .5 .5 .5 .73 |
|
K1 0 0 .5 |
|
K2 0 .5 .2965 .5 |
|
Na2 0 .5 .2965 .5 |
|
|
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|
| |
|
Na6 Nb8 O35 P5 |
| |
Benabbas A, Borel M, Grandin A, Leclaire A, Raveau B |
| |
Journal of Solid State Chemistry 92 (1991) 51-56 |
|
A niobium phosphate "bronze" closely related to the |
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Ba4/3Nb6Si4/4O26 structure: Na6Nb8P5O35 |
|
_cod_database_code 1001481 |
|
_database_code_amcsd 0013712 |
|
8.9185 8.9185 30.055 90 90 120 R32 |
|
atom x y z |
|
Nb1 .2341 -.0090 .06328 |
|
Nb2 0 0 .23608 |
|
P1 1/3 2/3 .0711 |
|
P2 .4413 0 .5 |
|
Na1 .7862 0 .5 |
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Na2 .583 0 0 |
|
O1 .229 0 0 |
|
O2 .2526 -.0364 .1314 |
|
O3 .4933 .140 .0658 |
|
O4 .261 .7782 .0514 |
|
O5 .187 .171 .0696 |
|
O6 .1996 .1422 .1897 |
|
O7 1/3 2/3 .1212 |
|
|
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|
| |
|
Na2.667 Nb6 O26 P4 |
| |
Benabbas A, Borel M, Grandin A, Leclaire A, Raveau B |
| |
Journal of Solid State Chemistry 95 (1991) 245-252 |
|
Na2+x Nb6 P4 O26 : a novel niobium phosphate bronze isotypic of the m=3 |
|
member of the MPTBp family |
|
_cod_database_code 1001698 |
|
_database_code_amcsd 0013722 |
|
19.80499 14.3859 5.3960 90 90 90 P2_12_12 |
|
atom x y z |
|
Nb1 0 0 .2640 |
|
Nb2 .33090 .97971 .2372 |
|
Nb3 .11669 .10021 .7647 |
|
Nb4 .43601 .09682 .7459 |
|
Nb5 .77765 .11139 .7414 |
|
P1 .2158 .1654 .264 |
|
P2 .5369 .1787 .253 |
|
P3 .8842 .1708 .2332 |
|
Na1 .0587 .2161 .242 |
|
Na2 .3779 .2060 .246 |
|
O1 .0642 .0530 .023 |
|
O2 -.0453 .1262 .271 |
|
O3 .0598 .0459 .517 |
|
O4 .2595 .0781 .273 |
|
O5 .3915 .0540 .474 |
|
O6 .2765 -.0931 .026 |
|
O7 .4030 .8874 .214 |
|
O8 .3714 .0546 -.022 |
|
O9 .2940 -.0832 .536 |
|
O10 .0626 .2218 .765 |
|
O11 .1737 .1721 .493 |
|
O12 .1686 .1680 .036 |
|
O13 .1849 .0094 .757 |
|
O14 .3910 .2242 .712 |
|
O15 .5 0 .780 |
|
O16 .4855 .1653 .054 |
|
O17 .5085 .1655 .514 |
|
O18 .7627 .2516 .725 |
|
O19 .8577 .1543 -.024 |
|
O20 .8400 .1315 .441 |
|
|
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|
| |
|
Na3.04 Nb7 O29 P4 |
| |
Benabbas A, Leligny H, Borel M, Grandin A, Leclaire A, Raveau B |
| |
Journal of Solid State Chemistry 101 (1992) 137-144 |
|
Na4-xNb7P4O29: A Phosphate Niobium Bronze Intergrowth of the |
|
Members M=3 snd M=4 of the MPTB's Series Nax(NbO3)2m(PO2)4 |
|
_cod_database_code 1001538 |
|
_database_code_amcsd 0013753 |
|
32.850 5.3484 13.252 90 97.79 90 C2/c |
|
atom x y z occ |
|
Nb1 0 0 0 |
|
Nb2 .3183 .5011 .02287 |
|
Nb3 .22724 .4785 .32190 |
|
Nb4 .04595 .4973 .17911 |
|
P1 .14822 .487 .1205 |
|
P2 .42169 .503 .1525 |
|
Na1 .1318 .507 .3634 |
|
Na2 -.0976 .009 -.0995 .52 |
|
O1 -.0468 -.025 .0780 |
|
O2 .0270 -.286 .0731 |
|
O3 .0299 .207 .1076 |
|
O4 .3791 .459 .0956 |
|
O5 .3066 .730 .1235 |
|
O6 .3024 .227 .0847 |
|
O7 .2710 .564 -.0695 |
|
O8 .3401 .278 -.0883 |
|
O9 .3482 .821 -.0378 |
|
O10 .1737 .562 .2216 |
|
O11 .2478 .291 .2264 |
|
O12 0 .515 .25 |
|
O13 .1029 .480 .1375 |
|
O14 .0722 .798 .2645 |
|
O15 .0755 .264 .3037 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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