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Ba2 Ca1.072 Co0.928 F14 Fe2 |
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Le Lirzin A, Quiang X, Darriet J, Soubeyroux J, Kaiser V, Pebler J, Babel D |
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European Journal of Solid State and Inorganic Chemistry 27 (1990) 791-803 |
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Structural and magnetic properties of 1D bimetallic chains in |
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Ba2CaCoFe2F14 and Ba2CaCoCr2F14 |
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_cod_database_code 1008492 |
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_database_code_amcsd 0016385 |
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13.773 5.384 14.929 90 91.27 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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Ba1 .1920 .9526 .1196 .0098 .0117 .0127 .0015 -.0003 -.0010 |
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Ca1 0 .4394 .25 .0131 .0088 .0081 0 .0010 0 |
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Ca2 0 .5 0 .072 .0106 .0078 .0084 .0003 .0004 -.0012 |
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Co1 0 .5 0 .928 .0106 .0078 .0084 .0003 .0004 -.0012 |
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Fe1 .3822 .4915 .1234 .0093 .0072 .0088 -.0002 -.0004 .0003 |
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F1 .1617 .2073 .2788 .0166 .014 .0117 -.0033 .0004 .0004 |
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F2 .4177 .3147 .0166 .0215 .0118 .0134 .0053 -.0013 -.0026 |
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F3 .3740 .2136 .2024 .0178 .014 .0213 .0017 .0027 .0070 |
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F4 .3762 .2043 .5485 .0185 .0139 .0153 -.0013 .0027 -.0057 |
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F5 .5110 .4148 .6580 .0102 .0178 .0174 -.0001 -.0008 .0057 |
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F6 .2505 .4440 .0855 .0116 .0194 .0311 -.0013 -.0059 -.0002 |
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F7 .4433 .0802 .3806 .0176 .0165 .0110 .0022 .0000 -.0008 |
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Ba2 Ca1.17 Co0.83 F14 Fe2 |
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Le Lirzin A, Quiang X, Darriet J, Soubeyroux J, Kaiser V, Pebler J, Babel D |
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European Journal of Solid State and Inorganic Chemistry 27 (1990) 791-803 |
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Structural and magnetic properties of 1D bimetallic chains in |
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Ba2CaCoFe2F14 and Ba2CaCoCr2F14 |
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_cod_database_code 1008493 |
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_database_code_amcsd 0016386 |
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13.780 5.395 14.970 90 91.22 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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Ba1 .1919 .9537 .1200 .0096 .0131 .0134 .0016 -.0002 -.0010 |
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Ca1 0 .4410 .25 .0122 .0102 .0084 0 .0012 0 |
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Ca2 0 .5 0 .17 .0095 .0089 .0091 .0003 .0004 -.0020 |
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Co1 0 .5 0 .83 .0095 .0089 .0091 .0003 .0004 -.0020 |
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Fe1 .3817 .4930 .1235 .0084 .0085 .0093 -.0003 -.0008 .0005 |
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F1 .1614 .2088 .2786 .0154 .0164 .0125 -.0021 .0030 .0007 |
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F2 .4167 .3169 .0167 .0214 .0165 .0129 .0046 -.0019 -.0018 |
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F3 .3743 .2155 .2024 .0178 .0144 .0219 .0036 .0030 .0079 |
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F4 .3751 .2044 .5484 .0187 .0132 .0165 -.0015 .0027 -.0051 |
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F5 .5104 .4113 .6579 .0097 .0199 .0177 .0012 -.0005 .0074 |
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F6 .2497 .4438 .0856 .0119 .0224 .0363 -.0013 -.0081 -.0011 |
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F7 .4430 .0841 .3800 .0178 .0208 .0127 .0031 .0009 -.0028 |
|
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F5 H2 Mn O Tl2 |
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Nunez P, Tressaud A, Darriet J, Hagenmuller P, Hahn G, Frenzen G, |
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Massa W, Babel D, Boireau A, Soubeyroux J |
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Inorganic Chemistry 31 (1992) 770-774 |
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A new linear chain compound: crystal and magnetic structures of |
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Tl2MnF5.H2O |
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_cod_database_code 1008532 |
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_database_code_amcsd 0016425 |
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9.688 8.002 8.339 90 90 90 Cmcm |
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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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Tl1 .20826 .29754 .25 .0252 .0232 .0235 -.0059 0 0 |
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Mn1 0 0 0 .0141 .0092 .0116 0 0 .0007 |
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F1 0 -.0006 .25 .057 .056 .008 0 0 0 |
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F2 .1876 0 0 .028 .034 .032 0 0 .013 |
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F3 0 .2305 .0043 .043 .022 .029 0 0 .003 |
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O1 .5 .0507 .25 .053 .025 .026 0 0 0 |
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H1 .5 .1118 .1666 |
|
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F5 H2 Mn O Tl2 |
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Nunez P, Tressaud A, Darriet J, Hagenmuller P, Hahn G, Frenzen G, |
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Massa W, Babel D, Boireau A, Soubeyroux J |
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Inorganic Chemistry 31 (1992) 770-774 |
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A new linear chain compound: crystal and magnetic structures of |
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Tl2MnF5.H2O |
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_cod_database_code 1008533 |
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_database_code_amcsd 0016426 |
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9.526 7.861 8.317 90 90 90 Cmcm |
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atom x y z |
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Tl1 .2093 .2961 .25 |
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Mn1 0 0 0 |
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F1 0 -.014 .25 |
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F2 .191 0 0 |
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F3 0 .239 .015 |
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O1 .5 .056 .25 |
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H1 .5 .126 .152 |
|
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Cr5 Cs4 F18.24 |
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Courbion G, de Pape R, Knoke G, Babel D |
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Journal of Solid State Chemistry 49 (1983) 353-361 |
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Structures of cesium containing fluorides, VI:The pyrochlore-related |
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layer structures of Cs4 Co Cr4 F18 and Cs4 Cr5 F18+x |
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_cod_database_code 1000461 |
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_database_code_amcsd 0013511 |
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7.2 7.2 10.679 90 90 120 P-3m1 |
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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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Cs1 0 0 .22765 .0328 .0328 .0574 .0164 0 0 |
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Cs2 1/3 2/3 .37306 .0578 .0578 .0212 .0289 0 0 |
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Cr1 1/3 2/3 .71642 .0170 .0170 .0118 .0085 0 0 |
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Cr2 .5 0 0 .0162 .0100 .0164 .0050 -.0005 -.0009 |
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F1 .20391 -.20391 .03982 .0302 .0302 .0442 .0047 .0074 -.0074 |
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F2 .54121 -.54121 .17326 .0445 .0445 .0214 .0359 -.0008 .0008 |
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F3 .79060 -.79060 .37818 .0568 .0568 .0268 .0457 -.0029 .0029 |
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F4 0 0 .5 .24 |
|
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|
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Co Cr4 Cs4 F18.24 |
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Courbion G, de Pape R, Knoke G, Babel D |
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Journal of Solid State Chemistry 49 (1983) 353-361 |
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Structures of cesium containing fluorides, VI:The pyrochlore-related |
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layer structures of Cs4 Co Cr4 F18 and Cs4 Cr5 F18+x |
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_cod_database_code 1000462 |
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_database_code_amcsd 0013512 |
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7.203 7.203 10.761 90 90 120 P-3m1 |
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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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Cs1 0 0 .22510 .0415 .0415 .0741 .0208 0 0 |
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Cs2 1/3 2/3 .37383 .0690 .0690 .0256 .0345 0 0 |
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Cr1 1/3 2/3 .71764 .0157 .0157 .0114 .0078 0 0 |
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Cr2 .5 0 0 .667 .0104 .0075 .0167 .0037 -.0021 -.0010 |
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Co1 .5 0 0 .333 .0104 .0075 .0167 .0037 -.0021 -.0010 |
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F1 .20494 -.20494 .03863 .0185 .0185 .0332 .0048 .0043 -.0043 |
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F2 .54091 -.54091 .17336 .0337 .0337 .0221 .0272 -.0009 .0009 |
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F3 .79331 -.79331 .37813 .0466 .0466 .0303 .0329 .0005 -.0005 |
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F4 0 0 .5 .24 |
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Ba F7 Fe Mn |
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Lacorre P, Pannetier J, Pebler J, Nagel J, Babel D, de Kozak A, Samouel M, Ferey G |
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Journal of Solid State Chemistry 101 (1992) 296-308 |
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Ordered magnetic frustration: XVII. Is Ba Mn Fe F7 frustrated? |
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Mossbauer spectrocopy, magnetic susceptibility, and magnetic structure at 2 K |
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_cod_database_code 1000498 |
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_database_code_amcsd 0013757 |
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5.5075 10.9584 9.1427 90 94.568 90 P2_1/c |
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atom x y z |
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Ba1 .2280 .1685 .0425 |
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Mn1 .8103 .0631 .3803 |
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Fe1 .6926 .1205 .7665 |
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F1 .404 .2823 .2853 |
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F2 .4993 .0299 .2515 |
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F3 .1445 .3996 .0107 |
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F4 .9837 .4835 .2807 |
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F5 .0972 .7378 .2144 |
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F6 .3466 .6469 .9398 |
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F7 .7159 .4053 .4754 |
|
|
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|
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Al Co F7 Na2 |
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Boireau A, Gravereau P, Dance J, Tressaud A, Hagenmuller P, Soubeyroux J, |
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Welsch M, Babel D |
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Materials Research Bulletin 28 (1993) 27-38 |
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Structural and magnetic properties of several cobalt(II) weberites |
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_cod_database_code 1008866 |
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_database_code_amcsd 0016734 |
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12.378 7.210 24.019 90 99.67 90 C2/c |
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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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Na1 0 0 0 .0345 .0214 .0350 -.0030 -.0079 -.0124 |
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Na2 0 .5 0 .0277 .0442 .0453 .0063 .0159 .0183 |
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Na3 .25 .25 .5 .0549 .0432 .0656 .0188 .0299 .0227 |
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Na4 0 .7853 .25 .0387 .0268 .0478 0 .0201 0 |
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Na5 .2531 .0456 .25339 .0238 .0218 .0276 .0044 .0011 .0085 |
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Na6 .3732 .5089 .12145 .0317 .0474 .0142 .0017 -.0002 -.0104 |
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Co1 .37760 .01138 .12761 .0077 .0088 .0091 -.0001 .0016 -.0005 |
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Co2 .12666 .26382 .12600 .0083 .0079 .0086 -.0004 .0022 .0000 |
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Al1 .25 .25 0 .0091 .0111 .0051 -.0003 .0020 -.0009 |
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Al2 0 .2522 .25 .0086 .0098 .0062 0 .0015 0 |
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Al3 .1264 .7651 .12584 .0075 .0063 .0097 -.0010 .0012 .0003 |
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F1 .3320 .0930 .0470 .0190 .0252 .0133 -.0058 .0004 -.0087 |
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F2 .1497 .2767 .0454 .0178 .0254 .0145 -.0041 .0094 -.0032 |
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F3 .3277 .4493 .0313 .0202 .0207 .0142 .0058 .0016 .0026 |
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F4 .0775 .0751 .2907 .0185 .0175 .0133 -.0040 .0002 -.0050 |
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F5 .1051 .2580 .2067 .0163 .0249 .0125 -.0013 .0080 -.0015 |
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F6 .4242 -.0628 .2092 .0194 .0192 .0148 .0052 .0009 .0057 |
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F7 .2618 -.1845 .1126 .0108 .0177 .0263 -.0046 .0056 -.0002 |
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F8 .4917 .2118 .1401 .0118 .0170 .0262 .0046 .0055 .0005 |
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F9 .1738 .5305 .1401 .0178 .0078 .0228 .0005 .0012 .0008 |
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F10 .0877 .7210 .0511 .0216 .0182 .0136 -.0039 -.0014 -.0037 |
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F11 .0783 -.0015 .1115 .0182 .0083 .0220 .0016 .0010 .0019 |
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F12 .1652 .8109 .2008 .0191 .0153 .0130 .0004 -.0010 -.0021 |
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F13 -.0296 .3255 .0948 .0110 .0179 .0193 .0046 .0028 -.0019 |
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F14 .2827 .1996 .1582 .0120 .0164 .0193 -.0034 .0027 .0029 |
|
|
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|
| |
|
F4 H2 Mn O Tl |
| |
Nunez P, Tressaud A, Hahn F, Massa W, Babel D, Boireau A, Soubeyroux J |
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Physica Status Solidi 127 (1991) 505-517 |
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A new 1D-antiferromagnet: crystal and magnetic structures of TlMnF4.H2O |
|
_cod_database_code 1008574 |
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_database_code_amcsd 0016465 |
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13.784 6.631 10.537 90 103.66 90 C2/c |
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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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Tl1 .08176 .73833 .43518 .0285 .0240 .0292 .0010 .0038 -.0010 |
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Mn1 .25 .25 .5 .0109 .0143 .0163 -.0004 .0012 .0006 |
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Mn2 0 .2443 .25 .0115 .0147 .0175 0 .0041 0 |
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F1 .1088 .2515 .4356 .014 .041 .019 .000 -.001 .003 |
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F2 .2512 -.0178 .4632 .029 .019 .040 -.003 .007 -.003 |
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F3 .0688 .0494 .1852 .021 .028 .041 .009 .007 -.010 |
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F4 .0707 .4385 .1870 .024 .030 .029 -.003 .009 .014 |
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O1 .2692 .3296 .3036 .021 .031 .025 -.009 .000 .009 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
F4 H2 Mn O Tl |
| |
Nunez P, Tressaud A, Hahn F, Massa W, Babel D, Boireau A, Soubeyroux J |
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Physica Status Solidi 127 (1991) 505-517 |
|
A new 1D-antiferromagnet: crystal and magnetic structures of TlMnF4.H2O |
|
_cod_database_code 1008575 |
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_database_code_amcsd 0016466 |
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13.6775 6.5865 10.3890 90 103.176 90 C2/c |
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atom x y z |
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Tl1 .0803 .7355 .4345 |
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Mn1 .25 .25 .5 |
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Mn2 0 .264 .25 |
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F1 .1072 .255 .4395 |
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F2 .2493 -.0160 .4657 |
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F3 .0712 .0444 .1857 |
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F4 .0697 .4406 .1880 |
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O1 .2658 .3260 .2985 |
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H1 .3200 .394 .293 |
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H2 .2021 .373 .249 |
|
|
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|
| |
|
F4 H2 Mn O Rb |
| |
Nunez P, Tressaud A, Hahn F, Massa W, Babel D, Boireau A, Soubeyroux J |
| |
Physica Status Solidi 127 (1991) 505-517 |
|
A new 1D-antiferromagnet: crystal and magnetic structures of TlMnF4.H2O |
|
_cod_database_code 1008576 |
|
_database_code_amcsd 0016467 |
|
13.838 6.429 10.486 90 103.97 90 C2/c |
|
atom x y z |
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Rb1 .075 .753 .440 |
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Mn1 .25 .25 .5 |
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Mn2 0 .219 .25 |
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F1 .108 .252 .448 |
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F2 .256 -.021 .465 |
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F3 .078 .039 .199 |
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F4 .069 .464 .191 |
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O1 .261 .323 .293 |
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H1 .318 .413 .302 |
|
H2 .218 .392 .253 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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