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Cu O12 P3 Zr2 |
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Bussereau I, Belkhiria M, Gravereau P, Boireau A, Soubeyroux J, |
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Olazcuaga R, Le Flem G |
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Acta Crystallographica C48 (1992) 1741-1744 |
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Structure of CuZr2(PO4)3 by X-ray and neutron powder diffraction |
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_cod_database_code 1008577 |
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_database_code_amcsd 0016468 |
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8.9018 8.9018 22.2021 90 90 120 R-3c |
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atom x y z occ |
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Cu1 .0454 -.0977 .0007 .1667 |
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Zr1 0 0 .1419 |
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P1 .2861 0 .25 |
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O1 .1839 -.0082 .1915 |
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O2 .1949 1/6 .0832 |
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Cu O12 P3 Zr2 |
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Bussereau I, Belkhiria M, Gravereau P, Boireau A, Soubeyroux J, |
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Olazcuaga R, Le Flem G |
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Acta Crystallographica C48 (1992) 1741-1744 |
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Structure of CuZr2(PO4)3 by X-ray and neutron powder diffraction |
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_cod_database_code 1008578 |
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_database_code_amcsd 0016469 |
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8.892 8.892 22.190 90 90 120 R-3c |
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atom x y z occ |
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Cu1 .046 -.093 0 .1667 |
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Zr1 0 0 .142 |
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P1 .286 0 .25 |
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O1 .187 -.009 .194 |
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O2 .198 .171 .085 |
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Cu0.5 O12 P3 Ti2 |
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Olazcuaga R, Le Flem G, Boireau A, Soubeyroux J |
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Advanced Materials Research 1 (1994) 177-188 |
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The structure of the high temperature forms of Cu(II)0.5 Ti2 (P O4)3 |
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and D0.5 Cu(I)0.5 Zr2 (P O4)3 |
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_cod_database_code 1008727 |
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_database_code_amcsd 0016608 |
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8.46 8.46 21.879990000 90 90 120 R-3 |
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atom x y z occ |
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Cu1 .431 .103 .3685 .167 |
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Ti1 0 0 .1452 |
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Ti2 0 0 .6421 |
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P1 .2863 .0023 .2508 |
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O1 .1783 -.0147 .1934 |
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O2 .7931 .9450 .6946 |
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O3 .2784 .8226 .2621 |
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O4 .5193 .8456 .7556 |
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Cu0.516 D0.36 O12 P3 Zr2 |
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Olazcuaga R, Le Flem G, Boireau A, Soubeyroux J |
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Advanced Materials Research 1 (1994) 177-188 |
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The structure of the high temperature forms of Cu(II)0.5 Ti2 (P O4)3 |
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and D0.5 Cu(I)0.5 Zr2 (P O4)3 |
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_cod_database_code 1008728 |
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_database_code_amcsd 0016609 |
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8.84 8.84 22.31 90 90 120 R-3c |
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atom x y z occ |
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Cu1 -.023 .121 .006 .086 |
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D1 .374 .502 .120 .060 |
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Zr1 0 0 .1408 |
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P1 .2825 0 .25 |
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O1 .1789 -.0198 .1956 |
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O2 .2007 .1721 .0881 |
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Cr Cu2 O12 P3 Zr |
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Boireau A, Soubeyroux J, Gravereau P, Olazcuaga R, Le Flem G |
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European Journal of Solid State and Inorganic Chemistry 30 (1993) 337-346 |
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Evidence of copper pairing in Cu2^I^CrZr(PO4/4)3, a crystallographic study |
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_cod_database_code 1008543 |
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_database_code_amcsd 0016434 |
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8.7449 8.7449 21.819 90 90 120 R-3c |
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atom x y z occ |
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Cu1 .039 .156 .0046 .260 |
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Cu2 .650 .074 .295 .0733 |
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Zr1 0 0 .1413 .5 |
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Cr1 0 0 .1413 .5 |
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P1 .2884 0 .25 |
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O1 .1830 -.0113 .1931 |
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O2 .1959 .1697 .0849 |
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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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Cr Cu2 O12 P3 Zr |
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Boireau A, Soubeyroux J, Gravereau P, Olazcuaga R, Le Flem G |
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Journal of Alloys and Compounds 188 (1992) 113-116 |
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Structure of Cu^I^2CrZr(PO4)3 by powder neutron diffraction |
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_cod_database_code 1008589 |
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_database_code_amcsd 0016480 |
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8.7449 8.7449 21.819 90 90 120 R-3c |
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atom x y z occ |
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Cu1 .039 .156 .0046 .260 |
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Cu2 .650 .074 .295 .0733 |
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Zr1 0 0 .1413 .5 |
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Cr1 0 0 .1413 .5 |
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P1 .2884 0 .25 |
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O1 .1830 -.0113 .1931 |
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O2 .1959 .1697 .0849 |
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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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|
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F4 H2 Mn O Tl |
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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 |
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_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 |
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|
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F4 H2 Mn O Tl |
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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 |
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_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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|
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F4 H2 Mn O Rb |
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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 |
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_cod_database_code 1008576 |
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_database_code_amcsd 0016467 |
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13.838 6.429 10.486 90 103.97 90 C2/c |
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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 |
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H2 .218 .392 .253 |
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|
| Download AMC data (View Text File)
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|
| |
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