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Barbosalite |
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Redhammer G J, Tippelt G, Roth G, Lottermoser W, Amthauer G |
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Physics and Chemistry of Minerals 27 (2000) 419-429 |
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Structure and Mossbauer spectroscopy of barbosalite Fe2+Fe3+2(PO4)2(OH)2 |
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between 80 K and 300 K |
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Sample: T = 298 K |
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_database_code_amcsd 0008412 |
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7.3294 7.4921 7.4148 90 118.43 90 P2_1/n |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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P .9973 .6147 .2440 .003 .002 .003 .003 .000 .002 .000 |
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Fe2+ 0 0 0 .006 .004 .006 .006 .000 .002 -.001 |
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Fe3+ .2757 .7318 .0069 .004 .003 .004 .004 -.001 .002 .000 |
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O1 .8046 .5037 .1093 .009 .005 .007 .012 -.001 .002 -.002 |
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O2 .9494 .7379 .3790 .010 .009 .013 .011 -.002 .009 -.005 |
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O3 .1794 .4880 .3749 .007 .004 .006 .010 .001 .001 .004 |
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O5 .0642 .7315 .1138 .008 .010 .007 .012 .003 .010 .003 |
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O6 .5231 .6349 .2604 .006 .005 .007 .004 .002 .002 -.001 |
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H .566 .568 .260 .022 |
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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) |
| |
|
Barbosalite |
|
Redhammer G J, Tippelt G, Roth G, Lottermoser W, Amthauer G |
| |
Physics and Chemistry of Minerals 27 (2000) 419-429 |
|
Structure and Mossbauer spectroscopy of barbosalite Fe2+Fe3+2(PO4)2(OH)2 |
|
between 80 K and 300 K |
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Sample: T = 110 K |
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_database_code_amcsd 0008413 |
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7.3065 7.5026 7.4105 90 118.49 90 P2_1/n |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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P .9958 .6136 .2430 .002 .002 .002 .002 .000 .000 .000 |
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Fe2+ 0 0 0 .003 .002 .003 .002 .000 .000 -.001 |
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Fe3+ .2752 .7327 .0076 .002 .002 .003 .001 .000 .000 .000 |
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O1 .8017 .5034 .1096 .004 .003 .004 .004 -.001 .000 -.002 |
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O2 .9517 .7351 .3816 .005 .004 .006 .004 -.001 .002 -.003 |
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O3 .1794 .4867 .3711 .004 .002 .005 .005 .001 .000 .002 |
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O5 .0609 .7304 .1112 .004 .006 .004 .004 .002 .003 .001 |
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O6 .5236 .6351 .2603 .003 .002 .004 .003 .001 .001 .000 |
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H .574 .567 .211 .03 |
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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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