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Srebrodolskite |
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Kahlenberg V, Fischer R X |
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European Journal of Mineralogy 12 (2000) 129-135 |
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Crystal growth and cation distribution in doped dicalcium ferrite |
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Ca2(Fe1-xMex)2O5 (Me=Al,Ga) |
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Sample: Me = Al |
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5.420 14.743 5.597 90 90 90 Pnma |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe 1/2 1/2 1/2 .0032 .0013 .0068 .0013 -.0005 .0001 .0002 |
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FeT .5532 1/4 .4328 .865 .0021 .0028 .0009 .0023 0 .0001 0 |
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AlT .5532 1/4 .4328 .135 .0021 .0028 .0009 .0023 0 .0001 0 |
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Ca .5177 .3919 .9762 .0050 .0081 .0031 .0036 .0001 .0011 -.0010 |
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O1 .4768 .3588 .5720 .0066 .0105 .0044 .0047 .0000 -.0004 .0023 |
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O2 .3992 1/4 .1277 .0051 .0054 .0050 .0047 0 -.0031 0 |
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O3 .7386 .5156 .7612 .0044 .0038 .0068 .0024 .0020 -.0022 -.0006 |
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Srebrodolskite |
|
Kahlenberg V, Fischer R X |
| |
European Journal of Mineralogy 12 (2000) 129-135 |
|
Crystal growth and cation distribution in doped dicalcium ferrite |
|
Ca2(Fe1-xMex)2O5 (Me=Al,Ga) |
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Sample: Me = Ga |
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5.420 14.721 5.599 90 90 90 Pnma |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Fe 1/2 1/2 1/2 .875 .0035 .0022 .0065 .0017 -.0003 .0001 .0004 |
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Ga 1/2 1/2 1/2 .125 .0035 .0022 .0065 .0017 -.0003 .0001 .0004 |
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FeT .5515 1/4 .4326 .570 .0027 .0037 .0012 .0027 0 0 0 |
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GaT .5515 1/4 .4326 .430 .0027 .0037 .0012 .0027 0 0 0 |
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Ca .5180 .3919 .9756 .0057 .0086 .0036 .0047 .0000 .0011 -.0010 |
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O1 .4745 .3586 .5734 .0068 .0120 .0020 .0062 -.0010 .0004 .0020 |
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O2 .4003 1/4 .1260 .0049 .0044 .0051 .0062 0 -.0026 0 |
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O3 .7387 .5155 .7615 .0052 .0043 .0081 .0026 .0010 -.0028 -.0006 |
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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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Srebrodolskite |
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Berggren J |
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Acta Chemica Scandinavica 25 (1971) 3616-3624 |
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Refinement of the crystal structure of dicalcium ferrite, Ca2Fe2O5 |
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5.4253 14.7687 5.5980 90 90 90 Pnma |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .4817 .1080 .0231 .0089 .0011 .0066 -.00025 .00135 .00005 |
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Fe1 0 0 0 .0044 .0014 .0045 .00005 -.0001 .00010 |
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Fe2 -.0541 .25 -.0659 .0053 .001 .0055 0 -.00005 0 |
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O1 .2623 -.0154 .2377 .0089 .0018 .0053 -.00005 -.0020 .0003 |
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O2 .0224 .1406 .0715 .0120 .0013 .0086 .00025 .00005 .00030 |
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O3 .5981 .25 -.1243 .0074 .0016 .0071 0 -.0007 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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