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In6WO12 |
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Michel D, Kahn A |
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Acta Crystallographica B38 (1982) 1437-1441 |
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The Structure of Indium Tungstate In6WO12: Its Relation with the |
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Fluorite Structure |
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_cod_database_code 1001180 |
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_database_code_amcsd 0009761 |
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6.2277 6.2277 6.2277 99.01 99.01 99.01 R-3 |
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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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W1 0 0 0 .0034 .0034 .0034 .0008 .0008 .0008 |
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In1 .1397 .3214 .6044 .0043 .0071 .0056 .0024 .0008 .0002 |
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O1 -.0426 .0974 .2969 .0129 .0104 .0015 .0007 .0007 .0007 |
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O2 .4057 .5838 .8219 .0079 .0044 .0034 .0009 .0009 .0004 |
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Al11 La Mn O19 |
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Gasperin M, Saine M, Kahn A, LaVille F, Lejus A |
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Journal of Solid State Chemistry 54 (1984) 61-69 |
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Influence of M^2+^ ions substitution on the structure of lanthanum |
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hexaaluminates with magnetoplumbite structure |
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_cod_database_code 1001258 |
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_database_code_amcsd 0013530 |
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5.574 5.574 22.008 90 90 120 P6_3/mmc |
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atom x y z occ |
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La1 .6676 .3552 .25 .14 |
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La2 .7373 .4746 .25 .05 |
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Al1 0 0 0 |
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Al2 1/3 2/3 .0275 .5 |
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Mn1 1/3 2/3 .0275 .5 |
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Al3 1/3 2/3 .1899 |
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Al4 0 0 .2399 .5 |
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Al5 .8328 .6656 .1083 |
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O1 .1811 .3622 .25 |
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O2 .1539 .3078 .0526 |
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O3 .5056 .0112 .1501 |
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O4 0 0 .1492 |
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O5 2/3 1/3 .0568 |
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Al11.95 La0.9 O18.9 |
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Gasperin M, Saine M, LaVille F, Lejus A, Kahn A |
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Journal of Solid State Chemistry 54 (1984) 61-69 |
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Influence of M^2+^ ions substitution on the structure of lanthanum |
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hexaaluminates with magnetoplumbite structure |
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_cod_database_code 1001259 |
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_database_code_amcsd 0013531 |
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5.577 5.577 22.003 90 90 120 P6_3/mmc |
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atom x y z occ |
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La1 .677 .323 .25 .3 |
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Al1 0 0 0 |
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Al2 1/3 2/3 .0265 |
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Al3 1/3 2/3 .1894 |
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Al4 .8325 .665 .1079 |
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Al5 0 0 .2382 .44 |
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O1 .1853 .3706 .25 |
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O2 .153 .306 .0536 |
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O3 .5034 .0068 .1505 |
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O4 0 0 .1500 |
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O5 2/3 1/3 .0571 |
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Al11.5 La0.85 O18.5 |
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Gasperin M, Saine M, LaVille F, Lejus A, Kahn A |
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Journal of Solid State Chemistry 54 (1984) 61-69 |
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Influence of M^2+^ ions substitution on the structure of lanthanum |
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hexaaluminates with magnetoplumbite structure |
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_cod_database_code 1001260 |
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_database_code_amcsd 0013532 |
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5.55 5.55 22.021 90 90 120 P6_3/mmc |
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atom x y z occ |
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La1 2/3 1/3 .25 .56 |
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La2 .7208 .4416 .25 .09 |
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Al1 0 0 0 |
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Al2 1/3 2/3 .0270 |
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Al3 1/3 2/3 .1899 |
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Al4 .8308 .6616 .1077 .95 |
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Al5 0 0 .2388 .42 |
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O1 .2017 .3631 .25 .42 |
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O2 .1621 .3115 .0519 .5 |
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O3 .5047 .0094 .1502 |
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O4 0 0 .1481 |
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O5 2/3 1/3 .0552 |
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Al11.55 La0.85 O18.6 |
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Gasperin M, Saine M, LaVille F, Lejus A, Kahn A |
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Journal of Solid State Chemistry 54 (1984) 61-69 |
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Influence of M^2+^ ions substitution on the structure of lanthanum |
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hexaaluminates with magnetoplumbite structure |
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_cod_database_code 1001261 |
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_database_code_amcsd 0013533 |
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5.55 5.55 22.031 90 90 120 P6_3/mmc |
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atom x y z occ |
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La1 2/3 1/3 .25 .55 |
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La2 .7170 .434 .25 .1 |
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Al1 0 0 0 |
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Al2 1/3 2/3 .0269 |
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Al3 1/3 2/3 .1899 |
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Al4 .8324 .6648 .1076 .952 |
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Al5 0 0 .2386 .41 |
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O1 .2009 .3623 .25 .437 |
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O2 .1634 .3121 .0518 .5 |
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O3 .5034 .0068 .1501 |
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O4 0 0 .1481 |
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O5 2/3 1/3 .0554 |
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Fe8 Ge3 O18 |
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Agafonov V, Kahn A, Michel D, Perez y Jorba M |
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Journal of Solid State Chemistry 62 (1986) 397-401 |
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Structural investigation of a new iron germanate Fe8 Ge3 O18 |
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_cod_database_code 1001675 |
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_database_code_amcsd 0013581 |
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8.754 5.110 14.280 90 101.80 90 P2_1/c |
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atom x y z occ |
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Fe1 0 0 0 |
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Fe2 .5388 .1878 .1801 .68 |
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Ge1 .5388 .1878 .1801 .32 |
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Fe3 .9134 .1841 .1824 .82 |
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Ge2 .9134 .1841 .1824 .18 |
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Fe4 .3370 -.0614 .0024 |
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Fe5 .2793 .1678 .3393 |
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Ge3 .7900 -.0252 .3791 |
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O1 .1912 -.2119 .0728 |
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O2 .3558 .2882 .0846 |
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O3 .0378 .2982 .0885 |
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O4 .5401 -.1101 .0880 |
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O5 .6931 .3280 .1007 |
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O6 .8484 -.1006 .0842 |
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O7 .0843 .0214 .2637 |
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O8 .2523 .5086 .2489 |
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O9 .4267 .0191 .2618 |
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Al2 Ge2 O7 |
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Agafonov V, Kahn A, Michel D, Perez y Jorba M |
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Journal of Solid State Chemistry 62 (1986) 402-404 |
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Crystal structure of a new digermanate: Al2 Ge2 O7 |
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_cod_database_code 1001676 |
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_database_code_amcsd 0013582 |
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7.132 7.741 9.702 90 110.62 90 C2/c |
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atom x y z |
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Ge1 .2414 .2488 .2945 |
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Al1 .3290 .0764 .0211 |
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O1 0 .1694 .25 |
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O2 .2891 .4310 .3982 |
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O3 .3972 .0834 .3973 |
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O4 .2887 .2739 .1292 |
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Ga4GeO8 |
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Kahn A, Agafonov V, Michel D, Perez Y Jorba M |
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Journal of Solid State Chemistry 65 (1986) 377-382 |
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New gallium germanates with tunnel structures alpha Ga4GeO8 and Ga4Ge3O12 |
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_cod_database_code 1001682 |
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_database_code_amcsd 0013589 |
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12.169 3.005 9.414 90 125.06 90 C2/m |
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atom x y z |
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Ge1 0 0 0 |
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Ga1 .7576 0 .3596 |
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Ga2 .4621 0 .2809 |
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O1 .1627 0 .2183 |
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O2 .6446 0 .4618 |
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O3 .4403 0 .0738 |
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O4 .8912 0 .3064 |
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Ge Hf O4 |
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Ennaciri A, Kahn A, Michel D |
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Journal of the Less-Common Metals 124 (1986) 105-109 |
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Crystal structures of Hf Ge O4 and Th Ge O4 germanates |
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_cod_database_code 1001684 |
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_database_code_amcsd 0014159 |
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4.862 4.862 10.497 90 90 90 I4_1/a |
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atom x y z |
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Ge1 0 0 0 |
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Hf1 0 0 .5 |
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O1 .2678 .1739 .0831 |
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Ge O4 Th |
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Ennaciri A, Kahn A, Michel D |
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Journal of the Less-Common Metals 124 (1986) 105-109 |
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Crystal structures of Hf Ge O4 and Th Ge O4 germanates |
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_cod_database_code 1001685 |
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_database_code_amcsd 0014160 |
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5.145 5.145 10.531 90 90 90 I4_1/a |
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atom x y z |
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Ge1 0 0 0 |
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Th1 0 0 .5 |
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O1 .2548 .1493 .0787 |
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Ge O4 Th |
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Ennaciri A, Kahn A, Michel D |
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Journal of the Less-Common Metals 124 (1986) 105-109 |
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Crystal structures of Hf Ge O4 and Th Ge O4 germanates |
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_cod_database_code 1001686 |
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_database_code_amcsd 0014161 |
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7.230 7.230 6.539 90 90 90 I4_1/amd |
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atom x y z |
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Ge1 0 0 .5 |
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Th1 0 0 0 |
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O1 0 .1803 .3214 |
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Ba O4 Sc2 |
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Agafonov V, Kahn A, Michel D, Guymont M |
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Materials Research Bulletin 18 (1983) 975-981 |
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Crystal structure of Ba Sc2 O4; its relation with Perovskite |
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_cod_database_code 1001251 |
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_database_code_amcsd 0014313 |
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9.84 5.81 20.65 90 90. 90 C2/c |
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atom x y z |
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Ba1 0 .109 .25 |
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Ba2 .3344 .109 .1385 |
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Sc1 .1662 .608 .1969 |
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Sc2 .1640 .619 .0530 |
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Sc3 .0028 .117 .0697 |
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O1 0 .570 .25 |
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O2 .264 .373 .248 |
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O3 .065 .839 .123 |
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O4 .103 .356 .121 |
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O5 .336 .653 .121 |
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O6 .153 .943 .0025 |
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O7 0 .5 0 |
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