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Li Mo O7 P2 |
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Ledain S, Leclaire A, Borel M, Raveau B |
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Acta Crystallographica C52 (1996) 1593-1594 |
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Li Mo P2 O7 |
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_cod_database_code 1001767 |
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_database_code_amcsd 0010308 |
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4.8984 8.3919 7.034 90 109.33 90 P2_1 |
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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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Mo1 .21270 .5 .22578 .0047 .0034 .0051 -.0003 .0023 -.0005 |
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P1 .4030 .1806 .0289 .0058 .0047 .0053 -.0005 .0022 -.0013 |
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P2 .7937 .2851 .4194 .0060 .0060 .0053 -.0001 .0015 .0008 |
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Li1 .797 .364 .821 |
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O1 .0539 .3200 .3608 .008 .011 .020 -.001 .009 .005 |
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O2 .3985 .6822 .0963 .014 .007 .011 .001 .008 .002 |
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O3 .1328 .7007 .3807 .011 .010 .005 .002 .002 -.001 |
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O4 .6172 .4331 .4226 .007 .009 .015 .002 -.001 -.003 |
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O5 .2403 .3376 .0069 .008 .005 .009 .002 .003 -.002 |
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O6 .5967 .1593 .2607 .013 .007 .008 -.003 .002 -.003 |
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O7 .7975 .5375 .0077 .008 .006 .009 .002 .001 .000 |
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Li Mo O8 P2 |
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Ledain S, Borel M, Leclaire A, Provost J, Raveau B |
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Journal of Solid State Chemistry 120 (1995) 260-267 |
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A molybdenum V diphosphate involving Li O4 tetrahedra: Li Mo O P2 O7 |
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_cod_database_code 1001713 |
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_database_code_amcsd 0013878 |
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16.04599 11.951 9.937 90 104.62 90 P2_1/n |
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atom x y z |
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Mo1 .23712 .19528 .1878 |
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Mo2 .57656 .21664 .1992 |
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Mo3 .90907 .2023 .1932 |
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P1 .1195 .2968 .3854 |
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P2 .1595 .4500 .1895 |
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P3 .4787 .4582 .1817 |
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P4 .4419 .3008 .3816 |
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P5 .3387 .0415 .7148 |
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P6 .3767 .1741 .9715 |
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Li1 .022 .436 .902 |
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Li2 .212 .064 .439 |
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Li3 .355 .443 .903 |
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O1 .1542 .135 .079 |
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O2 .3140 .191 .061 |
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O3 .2846 .0538 .295 |
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O4 .1870 .2146 .355 |
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O5 .2051 .3546 .135 |
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O6 .3494 .2736 .324 |
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O7 .6643 .272 .302 |
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O8 .6309 .1934 .0412 |
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O9 .5002 .2141 .333 |
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O10 .5954 .051 .268 |
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O11 .5200 .3601 .124 |
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O12 .4652 .1427 .054 |
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O13 .8159 .1470 .110 |
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O14 .9692 .1905 .038 |
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O15 .9523 .0529 .283 |
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O16 .8735 .2235 .377 |
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O17 .8793 .3633 .149 |
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O18 .0307 .2707 .301 |
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O19 .1486 .4164 .340 |
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O20 .0707 .4723 .097 |
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O21 .4651 .4197 .329 |
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O22 .3981 .490 .085 |
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O23 .3373 .0736 .870 |
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O24 .2504 .0120 .634 |
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Li2Na(MoO)2(PO4)3 |
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Ledain S, Leclaire A, Borel M, Raveau B |
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Journal of Solid State Chemistry 129 (1997) 298-302 |
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A Mo(V) monophosphate with an original tridimensional framework: |
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Li2Na(MoO)2(PO4)3 |
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_cod_database_code 1001807 |
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_database_code_amcsd 0013919 |
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15.668 8.135 17.74699 90 107.994 90 C2/c |
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atom x y z |
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Mo1 .16963 .26173 .84046 |
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Mo2 .92815 .22894 .93942 |
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P1 .1394 .1133 .01185 |
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P2 -.0395 .4492 .1108 |
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P3 .2461 .6024 .19354 |
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Li1 .108 .185 .1452 |
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Li2 .1201 .397 .2583 |
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Na1 .25 .25 .5 |
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Na2 0 .0981 .25 |
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O1 .0812 .1485 .7944 |
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O2 .2954 .3655 -.0948 |
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O3 .1720 .1899 -.0517 |
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O4 .1079 .4770 .8509 |
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O5 .2555 .0809 .8291 |
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O6 .1852 .3896 .7482 |
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O7 -.0648 .0783 .8769 |
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O8 -.0902 .3849 .0289 |
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O9 .8753 .0727 .0055 |
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O10 -.0268 .4153 .8940 |
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O11 .7988 .2963 .8826 |
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O12 .0524 .1949 .0165 |
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O13 .0133 .3189 .1665 |
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O14 .3385 .6700 .2340 |
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View JMOL 3-D Structure
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Mo2 Na3 O14 P3 |
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Ledain S, Leclaire A, Borel M, Raveau B |
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Journal of Solid State Chemistry 132 (1997) 249-256 |
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A sodium molybdenyl monophosphate with an intersecting tunnel |
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structure: Na3 (Mo O)2 (P O4)3 |
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_cod_database_code 1001811 |
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_database_code_amcsd 0013935 |
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15.211 8.9093 9.362 90 115.99 90 C2/c |
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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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Mo1 .16593 .0696 .1178 .0124 .0082 .0089 -.0017 .0041 -.0004 |
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P1 .1715 .4415 .0380 .011 .011 .013 -.001 .0060 -.001 |
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P2 0 -.0121 .25 .007 .011 .012 0 .005 0 |
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Na1 .4358 .1627 .337 .71 .038 .022 .053 -.001 .016 .008 |
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Na2 -.0310 .331 .267 .42 .06 .014 .05 -.018 -.013 .009 |
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Na3 -.030 .308 -.019 .25 .07 .04 .21 .02 .11 .04 |
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Na4 .200 .267 .426 .14 .05 .04 .03 .02 .03 .00 |
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O1 .1448 .8853 .0846 .026 .011 .026 -.005 .004 -.002 |
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O2 .2681 .0645 .3419 .032 .010 .015 .005 .000 .006 |
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O3 .0609 .0936 .2013 .021 .019 .035 -.009 .021 .001 |
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O4 .2760 .1017 .0630 .041 .022 .048 -.005 .037 -.006 |
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O5 .0624 .1176 .8857 .023 .010 .010 .001 .000 .005 |
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O6 .1646 .3040 .1323 .029 .012 .009 -.004 .010 .003 |
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O7 .0727 .5030 -.0679 .007 .031 .035 .002 -.004 .009 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Li3 Mo3 O17 P3 |
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Ledain S, Leclaire A, Borel M, Provost J, Raveau B |
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Journal of Solid State Chemistry 133 (1997) 391-399 |
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A mixed valent molybdenum monophosphate with a bidimensional connection |
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of Mo O6 octahedra : Li3 Mo3 O5 (P O4)3 |
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_cod_database_code 1001815 |
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_database_code_amcsd 0013940 |
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11.946 12.716 8.274 90.26 96.87 89.67 P-1 |
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atom x y z |
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Mo1 .01512 .11443 .2432 |
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Mo2 .98654 .61433 .2598 |
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Mo3 .47862 .61937 .1838 |
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Mo4 .60568 .87233 .1510 |
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Mo5 .39953 .37028 .34479 |
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Mo6 .52314 .11880 .3206 |
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P1 .7322 .4038 .5956 |
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P2 -.0546 .3621 .1420 |
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P3 .0546 .8614 .3582 |
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P4 .2716 .1558 .4417 |
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P5 .2725 .3515 -.0582 |
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P6 .7357 .0940 .1005 |
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O1 .0742 .0924 .074 |
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O2 -.0649 .1536 .4557 |
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O3 .8568 .1346 .1374 |
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O4 .1586 .1050 .3959 |
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O5 .0250 .2747 .2306 |
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O6 -.0144 -.0365 .3029 |
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O7 -.0737 .5935 .4302 |
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O8 .0660 .6535 .0438 |
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O9 .0173 .4632 .1981 |
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O10 .1447 .6314 .3650 |
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O11 -.0255 .7748 .2707 |
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O12 .8452 .6050 .1058 |
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O13 .4232 .6050 -.011 |
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O14 .5459 .6367 .4559 |
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O15 .3295 .6463 .2668 |
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O16 .6456 .5912 .1635 |
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O17 .4786 .4788 .2753 |
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O18 .5173 .7611 .1917 |
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O19 .5498 .8937 -.046 |
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O20 .6986 .8450 .3775 |
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O21 .5387 .9764 .2628 |
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O22 .7375 .9742 .1279 |
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O23 .7271 .7675 .0873 |
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O24 .3049 .3778 .116 |
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O25 .2686 .2707 .3784 |
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O26 .4751 .2615 .2708 |
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O27 .2739 .4752 .3916 |
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O28 .5806 .1251 .516 |
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O29 .3589 .0893 .3565 |
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O30 .6692 .1488 .2291 |
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O31 .6862 .3640 .4304 |
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O32 .8320 .3620 .200 |
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O33 .1680 .8599 .298 |
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O34 .6899 .1249 -.0699 |
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Li1 .142 .377 .343 |
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Li2 .860 .872 .155 |
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Li3 .795 .254 .355 |
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Li4 .692 .434 .229 |
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Li5 .303 -.065 .278 |
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Li6 .206 .754 .145 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
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