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La0.988 Mo8.024 O14 |
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Leligny H, Labbe P, Ledesert M, Hervieu M, Raveau B, McCarroll W |
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Acta Crystallographica B49 (1993) 444-454 |
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The modulated structure of LaMo8O14 |
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_cod_database_code 1001543 |
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_database_code_amcsd 0009872 |
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11.129 10.000 9.218 90 90 90 C2cb |
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atom x y z occ |
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La1 .0198 0 0 .8425 |
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La2 -.0216 0 0 .1450 |
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Mo1 .8769 .0778 .3795 |
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Mo2 .1218 .0828 .3768 |
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Mo3 0 .8402 .3796 |
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Mo4 .2307 .8371 .3759 .7876 |
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Mo5 .7741 .8392 .3835 .2244 |
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O1 .2623 0 .5 |
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O2 -.0032 .8410 .7638 |
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O3 .8730 -.0786 .2432 |
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O4 .1158 -.0761 .2353 |
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O5 .7443 .1718 .2567 |
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O6 .1149 .2609 .4893 |
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O7 .8736 .2507 .4906 |
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O8 .7452 0 .5 |
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Mo2 O12 Y5 |
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Torardi C, Fecketter C, McCarroll W, DiSalvo F |
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Journal of Solid State Chemistry 60 (1985) 332-342 |
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Structure and properties of Y5Mo2O12 and Gd5Mo2O12: Valence |
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oxides with structurally equivalent molybdenum atoms |
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_cod_database_code 1005000 |
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_database_code_amcsd 0013566 |
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12.2376 5.7177 7.4835 90 108.034 90 C2/m |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mo1 0 .7183 0 .21 .43 .20 0 -.02 0 |
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Y1 .19364 0 .36027 .25 .37 .20 0 -.07 0 |
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Y2 .81488 0 .17640 .23 .42 .34 0 .03 0 |
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Y3 0 .5 .5 .28 .64 .18 0 -.02 0 |
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O1 .6630 .2544 .0818 .21 .71 .49 .03 .06 -.02 |
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O2 .8454 .7513 .4245 .5 .4 .4 .1 .0 .1 |
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O3 .5002 0 .7971 .7 .8 .3 0 .2 0 |
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O4 .0006 0 .1816 .3 .6 .2 0 .1 0 |
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Mo2 O12 Y5 |
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Torardi C, Fecketter C, McCarroll W, DiSalvo F |
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Journal of Solid State Chemistry 60 (1985) 332-342 |
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Structure and Properties of Y5Mo2O12 and Gd5Mo2O12: Mixed |
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Valence Oxides with Structurally Equivalent Molybdenum Atoms |
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_cod_database_code 1005059 |
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_database_code_amcsd 0013567 |
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12.2376 5.7177 7.4835 90 108.034 90 C2/m |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mo1 0 .7183 0 .21 .43 .20 0 -.02 0 |
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Y1 .19364 0 .36027 .25 .37 .20 0 -.07 0 |
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Y2 .81488 0 .17640 .23 .42 .34 0 .03 0 |
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Y3 0 .5 .5 .28 .64 .18 0 -.02 0 |
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O1 .6630 .2544 .0818 .21 .71 .49 .03 .06 -.02 |
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O2 .8454 .7513 .4245 .5 .4 .4 .1 .0 .1 |
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O3 .5002 0 .7971 .7 .8 .3 0 .2 0 |
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O4 .0006 0 .1816 .3 .6 .2 0 .1 0 |
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Al0.67 La3 Mo4.33 O14 |
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McCarroll W, Podejko K, Cheetham A, Thomas D, DiSalvo F |
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Journal of Solid State Chemistry 62 (1986) 241-252 |
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The crystal structure of La3 Mo4.33 Al.67 O14 and the electronic |
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structure of La3 Mo4 X O14 (X=Si, Mo1/3 Al2/3; Al1/2 V1/2) |
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_cod_database_code 1005018 |
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_database_code_amcsd 0013577 |
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17.750 5.6600 11.070 90 90 90 Pnma |
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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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La1 .33565 .25 .13199 .0058 .0091 .0052 0 -.0001 0 |
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La2 .34657 .25 .49908 .0071 .0099 .0062 0 -.0002 0 |
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La3 .53414 .25 .69746 .0044 .0148 .0215 0 .0006 0 |
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Mo1 .33906 .02356 .82069 .0037 .0052 .0050 .0004 .0004 -.0007 |
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Mo2 .21638 .25 .86281 .0034 .0064 .0049 0 -.0001 0 |
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Mo3 .50834 .2219 .00788 .5 .0044 .0075 .0076 0 .0005 0 |
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Mo4 .0548 .25 .0968 .308 .0316 .0124 .0134 0 -.0019 0 |
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Al1 .0662 .25 .1114 .692 .0316 .0124 .0134 0 -.0019 0 |
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O1 -.0246 .25 .0549 |
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O2 .1318 .25 .9949 .7 |
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O3 .0850 -.0149 .1859 .35 |
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O4 .2890 .75 .7446 |
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O5 -.2206 .25 .7918 |
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O6 .1526 -.0001 .8023 |
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O7 -.2709 .5070 .0339 |
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O8 -.0999 .75 .5994 |
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O9 .0446 .0010 .6112 |
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O10 .0946 .75 .4096 |
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O11 -.0304 .25 .0120 |
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O12 .1241 .25 .9792 .3 |
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O13 .0809 -.0084 .1812 .15 |
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La2 Mo2 O7 |
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Moini A, Subramanian M, Clearfield A, DiSalvo F, McCarroll W |
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Journal of Solid State Chemistry 66 (1987) 136-143 |
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Structure and properties of La2 Mo2 O7: A quasi-twodimensional metallic |
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oxide with strong Mo-Mo bonds |
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_cod_database_code 1005043 |
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_database_code_amcsd 0013591 |
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6.034 12.236 3.888 90 90 90 Pnnm |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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La1 .4097 .3451 0 .35 .37 .32 -.15 0 0 |
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Mo1 .3186 .04748 0 .13 .10 .22 .01 0 0 |
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O1 0 0 0 1.4 .7 .6 .3 0 0 |
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O2 .158 .1981 0 .3 .7 1.0 .4 0 0 |
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O3 .376 .8843 0 .5 .7 .3 .1 0 0 |
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O4 .208 .5473 0 1.0 1.3 .4 -.9 0 0 |
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La5Mo4O16 |
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Ledesert M, Labbe P, McCarroll W, Leligny H, Raveau B |
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Journal of Solid State Chemistry 105 (1993) 143-150 |
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La5Mo4O16: a new structural type related to perovskite |
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with extremely short Mo-Mo bonds |
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_cod_database_code 1001567 |
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_database_code_amcsd 0013781 |
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7.9638 7.9958 10.3345 90 95.067 90 C2/m |
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atom x y z occ |
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La1 .27297 .24497 .21054 |
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La2 0 0 .5 |
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Mo1 0 0 0 |
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Mo2 .5 0 0 |
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Mo3 .56078 0 .39747 |
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O1 .0375 .2630 .3585 |
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O2 .2863 .5 .3263 |
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O3 .3087 0 .4314 |
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O4 .4601 0 .1889 |
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O5 .0729 0 .1740 |
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O6 .046 .25 0 .5 |
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O7 .246 .967 .9574 .5 |
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| Download AMC data (View Text File)
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