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Ba2 O9 V3 |
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Dhaussy A, Abraham F, Mentre O, Steinfink H |
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Journal of Solid State Chemistry 126 (1996) 328-335 |
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Crystal structure and characterization of Ba2 V3 O9: a vanadyl(IV) |
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vanadate containing rutile-like chains of V O6 octahedra |
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_cod_database_code 1004116 |
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_database_code_amcsd 0013901 |
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9.302 5.969 8.118 90 113.96 90 P2_1/m |
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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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Ba1 .58821 .25 .19377 .0081 .0099 .0096 0 .0037 0 |
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Ba2 .76547 .25 .78224 .0153 .0209 .0139 0 .0098 0 |
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V1 .32357 .25 .52905 .0070 .0060 .0097 0 .0043 0 |
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V2 .18540 .25 .92363 .0074 .0087 .0064 0 .0018 0 |
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V3 .98928 .03453 .47520 .5 .0064 .0054 .0078 -.0013 .0021 -.0011 |
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O1 .3047 .0236 -.0083 .0167 .0088 .0117 .0019 .0026 .0017 |
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O2 .2088 .0050 .4918 .0074 .0081 .0180 -.0009 .0051 -.0010 |
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O3 .4228 .25 .3991 .0348 .0276 .0311 0 .0278 0 |
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O4 .0681 .25 .0310 .0171 .0566 .0154 0 .0110 0 |
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O5 .4537 .25 .7435 .0102 .0166 .0155 0 -.0014 0 |
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O6 .9283 .25 .3286 .0090 .0125 .0107 0 .0036 0 |
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O7 .0618 .25 .6790 .0116 .0076 .0077 0 .0016 0 |
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Fe1.75 O11 Pb V4.25 |
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Mentre O, Dhaussy A, Abraham F, Steinfink H |
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Journal of Solid State Chemistry 130 (1997) 223-233 |
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Effect of iron substitution on the structural, electric, and magnetic |
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properties in R-type Pb Fex V6-x O11, a frustrated system |
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_cod_database_code 1004123 |
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_database_code_amcsd 0013923 |
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5.742 5.742 13.507 90 90 120 P6_3mc |
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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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Pb1 1/3 2/3 .2214 .0162 .0162 .0140 .0081 0 0 |
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V1 .5094 .4906 -.0003 .0085 .0085 .0407 .0042 0 0 |
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V2 0 0 .1459 .75 .0002 .0002 .0055 .0001 0 0 |
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Fe1 0 0 .1459 .25 .0002 .0002 .0055 .0001 0 0 |
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V3 0 0 .3522 .5 .0048 .0048 .0029 .0012 .0015 -.0015 |
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Fe2 0 0 .3522 .5 .0048 .0048 .0029 .0012 .0015 -.0015 |
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Fe3 2/3 1/3 .2703 .0072 .0072 .0010 .0036 0 0 |
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O1 .173 .827 .081 |
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O2 .153 .847 .75 |
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O3 .173 .827 .421 |
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O4 2/3 1/3 .420 |
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O5 2/3 1/3 .086 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
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