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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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View JMOL 3-D Structure (permalink) |
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