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Niahite |
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Carling S G, Day P, Visser D |
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Inorganic Chemistry 34 (1995) 3917-3927 |
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Crystal and magnetic structures of layer transition metal phosphate hydrates |
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Locality: synthetic |
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Sample: T = 1.6 K |
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Note: atomic positions from ICSD |
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_database_code_amcsd 0012714 |
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5.7173 8.8312 4.8774 90 90 90 Pmn2_1 |
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atom x y z Biso |
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N 0 .5267 .1403 .77 |
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D1 0 .4632 .3206 1.64 |
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D2 0 .4550 -.0344 1.17 |
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D3 .1491 .5892 .1391 2.11 |
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Mn 0 -.0219 .0185 .4 |
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P 0 .1966 .5905 .16 |
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O1 0 .1691 .2828 .99 |
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O2 0 .3718 .6437 .44 |
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O3 .2177 .1250 .7314 .31 |
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O4 0 .7881 .7073 1.22 |
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D4 .1323 .7993 .5926 2.53 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Niahite |
|
Carling S G, Day P, Visser D |
| |
Inorganic Chemistry 34 (1995) 3917-3927 |
|
Crystal and magnetic structures of layer transition metal phosphate hydrates |
|
Locality: synthetic |
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Sample: T = 21.4 K |
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Note: atomic positions from ICSD |
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_database_code_amcsd 0012715 |
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5.7142 8.8255 4.8762 90 90 90 Pmn2_1 |
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atom x y z Biso |
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N 0 .5259 .1224 .77 |
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D1 0 .4640 .3060 1.62 |
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D2 0 .4546 -.0483 1.49 |
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D3 .1485 .5897 .1249 2.19 |
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Mn 0 -.0210 0 .42 |
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P 0 .1960 .5768 .23 |
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O1 0 .1674 .2676 .45 |
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O2 0 .3697 .6263 .44 |
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O3 .2181 .1238 .7164 .17 |
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O4 0 .7847 .6944 1.19 |
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D4 .1312 .8002 .5749 2.40 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Niahite |
|
Carling S G, Day P, Visser D |
| |
Inorganic Chemistry 34 (1995) 3917-3927 |
|
Crystal and magnetic structures of layer transition metal phosphate hydrates |
|
Locality: synthetic |
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Sample: T = 295 K |
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Note: atomic positions from ICSD |
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_database_code_amcsd 0012716 |
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5.7302 8.8191 4.9087 90 90 90 Pmn2_1 |
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atom x y z Biso |
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N 0 .5274 .1157 2.15 |
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D1 0 .4654 .2975 2.59 |
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D2 0 .4539 -.0548 2.78 |
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D3 .1474 .5873 .1190 4.05 |
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Mn 0 -.0234 0 1.86 |
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P 0 .1983 .5709 1.14 |
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O1 0 .1663 .2638 2.14 |
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O2 0 .3729 .6206 1.95 |
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O3 .2170 .1260 .7066 1.38 |
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O4 0 .7864 .6859 2.36 |
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D4 .1326 .7991 .5735 3.57 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Erythrosiderite |
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Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D |
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Journal of Physics: Condensed Matter 7 (1995) 4725-4738 |
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Magnetic structures of the three-dimensional Heisenberg |
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antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O) |
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_cod_database_code 1006098 |
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_database_code_amcsd 0013271 |
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13.5795 9.7024 7.0147 90 90 90 Pnma |
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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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K1 .35468 .49882 .1465 .0400 .0378 .0412 .0001 .0063 0 |
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Fe1 .11457 .25 .19024 .01915 .01802 .02097 0 -.0034 0 |
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Cl1 .25019 .25 .3923 .0238 .0314 .0241 0 -.0062 0 |
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Cl2 .2179 .25 -.0794 .0451 .0465 .02240 0 .0069 0 |
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Cl3 .00597 .25 .4587 .0294 .0383 .0376 0 .0120 0 |
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Cl4 .10493 .49374 .1809 .0409 .0176 .0448 -.0003 -.0139 0 |
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O1 .0064 .25 .0089 .029 .021 .054 0 -.026 0 |
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H1 -.0044 .3126 -.0372 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Cl5 D2 Fe K2 O |
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Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D |
| |
Journal of Physics: Condensed Matter 7 (1995) 4725-4738 |
|
Magnetic structures of the three-dimensional Heisenberg |
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antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O) |
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_cod_database_code 1006099 |
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_database_code_amcsd 0013272 |
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13.5862 9.7087 7.0177 90 90 90 Pnma |
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atom x y z |
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K1 .3502 .5125 .1357 |
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Fe1 .1150 .25 .1917 |
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Cl1 .2466 .25 .3870 |
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Cl2 .2213 .25 -.0847 |
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Cl3 .0042 .25 .4512 |
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Cl4 .10605 .4907 .1785 |
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O1 -.0063 .25 .0151 |
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D1 -.0372 .3315 -.0450 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Cl5 D2 Fe K2 O |
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Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D |
| |
Journal of Physics: Condensed Matter 7 (1995) 4725-4738 |
|
Magnetic structures of the three-dimensional Heisenberg |
|
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O) |
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_cod_database_code 1006100 |
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_database_code_amcsd 0013273 |
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13.4653 9.6132 6.9836 90 90 90 Pnma |
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atom x y z |
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K1 .3546 .4947 .1430 |
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Fe1 .1157 .25 .1953 |
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Cl1 .2501 .25 .3919 |
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Cl2 .2201 .25 -.0799 |
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Cl3 .0060 .25 .4655 |
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Cl4 .1046 .4957 .1862 |
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O1 -.0101 .25 .0230 |
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D1 -.0355 .3326 -.048 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Cl5 D2 Fe K2 O |
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Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D |
| |
Journal of Physics: Condensed Matter 7 (1995) 4725-4738 |
|
Magnetic structures of the three-dimensional Heisenberg |
|
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O) |
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_cod_database_code 1006101 |
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_database_code_amcsd 0013274 |
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13.4389 9.6025 6.9789 90 90 90 Pnma |
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atom x y z |
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K1 .3535 .4947 .1418 |
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Fe1 .1158 .25 .1954 |
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Cl1 .2512 .25 .3943 |
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Cl2 .2197 .25 -.0800 |
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Cl3 .0069 .25 .4678 |
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Cl4 .1048 .4958 .1867 |
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O1 -.0083 .25 .0237 |
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D1 -.0363 .3325 -.0477 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Cl5 D2 Fe K2 O |
| |
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D |
| |
Journal of Physics: Condensed Matter 7 (1995) 4725-4738 |
|
Magnetic structures of the three-dimensional Heisenberg |
|
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O) |
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_cod_database_code 1006102 |
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_database_code_amcsd 0013275 |
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13.4391 9.5981 6.9797 90 90 90 Pnma |
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atom x y z |
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K1 .3536 .4970 .1409 |
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Fe1 .1154 .25 .1950 |
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Cl1 .2516 .25 .3947 |
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Cl2 .2197 .25 -.0802 |
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Cl3 .0070 .25 .4678 |
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Cl4 .1049 .4961 .1866 |
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O1 -.0079 .25 .0239 |
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D1 -.0364 .3324 .95233 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Cl5 D2 Fe O Rb2 |
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Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D |
| |
Journal of Physics: Condensed Matter 7 (1995) 4725-4738 |
|
Magnetic structures of the three-dimensional Heisenberg |
|
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O) |
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_cod_database_code 1006103 |
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_database_code_amcsd 0013276 |
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13.8015 9.9049 7.0783 90 90 90 Pnma |
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atom x y z |
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Rb1 .3565 .5003 .1554 |
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Fe1 .1155 .25 .1916 |
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Cl1 .2452 .25 .3988 |
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Cl2 .2203 .25 -.0697 |
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Cl3 .0063 .25 .4527 |
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Cl4 .1040 .4902 .1768 |
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O1 -.0064 .25 .0034 |
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D1 -.0345 .3298 -.0450 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cl5 D2 Fe O Rb2 |
| |
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D |
| |
Journal of Physics: Condensed Matter 7 (1995) 4725-4738 |
|
Magnetic structures of the three-dimensional Heisenberg |
|
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O) |
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_cod_database_code 1006104 |
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_database_code_amcsd 0013277 |
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13.7101 9.8517 7.0255 90 90 90 Pnma |
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atom x y z |
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Rb1 .3569 .4989 .1606 |
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Fe1 .1150 .25 .1936 |
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Cl1 .2471 .25 .4018 |
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Cl2 .2234 .25 -.0689 |
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Cl3 .0053 .25 .4595 |
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Cl4 .104 .4919 .1799 |
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O1 -.0042 .25 .0110 |
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D1 -.0343 .3300 -.0488 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cl5 D2 Fe O Rb2 |
| |
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D |
| |
Journal of Physics: Condensed Matter 7 (1995) 4725-4738 |
|
Magnetic structures of the three-dimensional Heisenberg |
|
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O) |
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_cod_database_code 1006105 |
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_database_code_amcsd 0013278 |
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13.6798 9.8507 7.0069 90 90 90 Pnma |
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atom x y z |
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Rb1 .3567 .4987 .1594 |
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Fe1 .1149 .25 .1931 |
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Cl1 .2462 .25 .4027 |
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Cl2 .2236 .25 -.0670 |
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Cl3 .0066 .25 .4623 |
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Cl4 .1032 .4907 .1797 |
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O1 -.0020 .25 .0124 |
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D1 -.0342 .3294 -.0483 |
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|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Cl5 D2 Fe O Rb2 |
| |
Gabas M, Palacio F, Rodriguez-Carvajal J, Visser D |
| |
Journal of Physics: Condensed Matter 7 (1995) 4725-4738 |
|
Magnetic structures of the three-dimensional Heisenberg |
|
antiferromagnets K2FeCl5*(D2O) and Rb2FeCl5*(D2O) |
|
_cod_database_code 1006106 |
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_database_code_amcsd 0013279 |
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13.6801 9.8471 7.0073 90 90 90 Pnma |
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atom x y z |
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Rb1 .3566 .4992 .1599 |
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Fe1 .1147 .25 .1936 |
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Cl1 .2464 .25 .4023 |
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Cl2 .2238 .25 -.0665 |
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Cl3 .0066 .25 .4622 |
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Cl4 .1032 .4907 .1794 |
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O1 -.0014 .25 .0122 |
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D1 -.0341 .3297 -.0479 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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