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Fe K S2 |
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Bronger W, Kyas A, Muller P |
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Journal of Solid State Chemistry 70 (1987) 262-270 |
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The antiferromagnetic structures of K Fe S2, Rb Fe S2, K Fe Se2, |
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and Rb Fe Se2 and the correlation between magnetic moments and |
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crystal field calculations |
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_cod_database_code 1008338 |
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_database_code_amcsd 0016249 |
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7.084 11.303 5.394 90 113.2 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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Fe1 0 .99668 .25 .0176 .0193 .0114 0 .0064 0 |
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K1 0 .3572 .25 .0283 .0291 .0270 0 .0062 0 |
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S1 .196 .1098 .1068 .0247 .0239 .0172 -.0082 .0093 -.0028 |
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Fe Rb S2 |
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Bronger W, Kyas A, Muller P |
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Journal of Solid State Chemistry 70 (1987) 262-270 |
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The antiferromagnetic structures of K Fe S2, Rb Fe S2, K Fe Se2, |
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and Rb Fe Se2 and the correlation between magnetic moments and |
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crystal field calculations |
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_cod_database_code 1008339 |
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_database_code_amcsd 0016250 |
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7.223 11.725 5.430 90 112.0 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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Fe1 0 .9976 .25 .016 .023 .0079 0 .0053 0 |
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Rb1 0 .3553 .25 .0237 .030 .0210 0 .0056 0 |
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S1 .1905 .1061 .0981 .025 .025 .016 -.008 .007 -.002 |
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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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Fe K S2 |
| |
Bronger W, Kyas A, Muller P |
| |
Journal of Solid State Chemistry 70 (1987) 262-270 |
|
The antiferromagnetic structures of K Fe S2, Rb Fe S2, K Fe Se2, |
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and Rb Fe Se2 and the correlation between magnetic moments and |
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crystal field calculations |
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_cod_database_code 1008340 |
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_database_code_amcsd 0016251 |
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7.028 11.201 5.388 90 113.3 90 C2/c |
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atom x y z |
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Fe1 0 -.001 .25 |
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K1 0 .350 .25 |
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S1 .198 .115 .122 |
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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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Fe Rb S2 |
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Bronger W, Kyas A, Muller P |
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Journal of Solid State Chemistry 70 (1987) 262-270 |
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The antiferromagnetic structures of K Fe S2, Rb Fe S2, K Fe Se2, |
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and Rb Fe Se2 and the correlation between magnetic moments and |
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crystal field calculations |
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_cod_database_code 1008341 |
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_database_code_amcsd 0016252 |
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7.245 11.762 5.455 90 112.0 90 C2/c |
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atom x y z |
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Fe1 0 0 .25 |
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Rb1 0 .355 .25 |
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S1 .209 .103 .100 |
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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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Fe Rb S2 |
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Bronger W, Kyas A, Muller P |
| |
Journal of Solid State Chemistry 70 (1987) 262-270 |
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The antiferromagnetic structures of K Fe S2, Rb Fe S2, K Fe Se2, |
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and Rb Fe Se2 and the correlation between magnetic moments and |
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crystal field calculations |
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_cod_database_code 1008342 |
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_database_code_amcsd 0016253 |
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7.189 11.619 5.435 90 112.2 90 C2/c |
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atom x y z |
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Fe1 0 0 .25 |
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Rb1 0 .354 .25 |
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S1 .189 .110 .070 |
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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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Fe K S2 |
| |
Bronger W, Kyas A, Muller P |
| |
Journal of Solid State Chemistry 70 (1987) 262-270 |
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The antiferromagnetic structures of KFeS2, RbFeS2, KFeSe2, and RbFeSe2 and the |
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correlation between magnetic moments and crystal field calculations |
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_cod_database_code 1008695 |
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_database_code_amcsd 0016581 |
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7.082 11.329 5.403 90 113.2 90 C2/c |
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atom x y z |
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Fe1 0 .002 .25 |
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K1 0 .359 .25 |
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S1 .186 .109 .123 |
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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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Li4 Re6 S11 |
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Bronger W, Miessen H, Muller P, Neugroschel R |
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Journal of the Less-Common Metals 105 (1985) 303-310 |
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Darstellung und Kristallstruktur von Li4 Re6 S11 |
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_cod_database_code 1008693 |
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_database_code_amcsd 0016579 |
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9.571 14.006 11.678 90 90 90 Pccn |
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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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Re1 .1056 .1078 .9756 .0128 .0060 .0023 -.0003 .0001 -.0004 |
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Re2 .1470 .9463 .0824 .0115 .0064 .0010 .0005 -.0004 .0003 |
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Re3 .9296 .0516 .1339 .0135 .0067 .0016 .0009 .0006 -.0006 |
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S1 .166 .0987 .1747 .015 .006 .010 .001 -.002 .001 |
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S2 .0240 .1016 .7789 .020 .012 .001 -.004 -.004 .004 |
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S3 .8970 .1978 .0241 .021 .011 .009 .002 .003 -.002 |
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S4 .2980 .9998 .9308 .018 .010 .008 .002 .003 -.001 |
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S5 .8440 .1248 .3130 .018 .012 .002 -.001 .001 -.004 |
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S6 .25 .25 .9255 .027 .011 .021 -.008 0 0 |
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Li1 .5 .75 .62 |
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Li2 .82 .16 .62 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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H4 K2 Pt |
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Bronger W, Auffermann G, Muller P |
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Journal of the Less-Common Metals 116 (1986) 9-15 |
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K2 Pt H4, a new hydride with rotating planar (Pt H4)^2-^ groups |
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in its high-temperature phase |
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_cod_database_code 1008357 |
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_database_code_amcsd 0016268 |
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8.038 8.038 8.038 90 90 90 Fm3m |
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atom x y z |
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K1 .25 .25 .25 |
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Pt1 0 0 0 |
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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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