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Erythrosiderite |
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Schultz A J, Carlin R L |
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Acta Crystallographica B51 (1995) 43-47 |
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Single-crystal pulsed neutron diffraction structure of the antiferromagnet |
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K2[FeCl5(H2O)] with and without applied pressure |
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Locality: synthetic |
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Sample: P = .1 MPa |
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Sample: T = 15 K |
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_database_code_amcsd 0010299 |
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13.452 9.631 7.003 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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K .3538 .0023 .8540 .0089 .0079 .0097 .0004 -.0014 .0003 |
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Fe .1141 .25 .8061 .0062 .0043 .0061 0 .0010 0 |
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Cl1 .2186 .25 .0785 .0070 .0087 .0067 0 -.0014 0 |
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Cl2 .2525 .25 .6043 .0053 .0069 .0068 0 .0010 0 |
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Cl3 .0062 .25 .5326 .0068 .0077 .0082 0 -.0014 0 |
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Cl4 .10447 .00376 .8141 .0077 .0053 .0095 .0001 .0020 .0004 |
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O -.0088 .25 .9839 .0102 .0071 .0132 0 .0067 0 |
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H -.0350 .3314 .0441 .035 .017 .033 .003 .007 -.0076 |
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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 (permalink) |
  |
|
Erythrosiderite |
 |
Schultz A J, Carlin R L |
 |
Acta Crystallographica B51 (1995) 43-47 |
|
Single-crystal pulsed neutron diffraction structure of the antiferromagnet |
|
K2[FeCl5(H2O)] with and without applied pressure |
|
Locality: synthetic |
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Sample: P = .14 GPa |
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Sample: T = 15 K |
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_database_code_amcsd 0010300 |
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13.391 9.648 6.942 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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K .3544 .0025 .8517 .0071 .0083 .0087 -.0005 -.0010 .0015 |
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Fe .1150 .25 .8057 .0042 .0047 .0060 0 .0003 0 |
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Cl1 .2202 .25 .0785 .0064 .0091 .0059 0 -.0016 0 |
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Cl2 .2527 .25 .6021 .0043 .0083 .0058 0 .0012 0 |
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Cl3 .0057 .25 .5320 .0073 .0076 .0065 0 -.0006 0 |
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Cl4 .10489 .00392 .8145 .0080 .0056 .0081 .0000 .0021 .0003 |
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O -.0081 .25 .9857 .0097 .0076 .0108 0 .0048 0 |
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H -.0356 .3311 .0452 .031 .019 .035 .006 .009 -.008 |
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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 (permalink) |
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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) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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