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Hollandite |
 |
Michiue Y |
 |
Acta Crystallographica B63 (2007) 577-583 |
|
Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 |
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(A = K, Rb) |
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Locality: synthetic |
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Sample: 1 |
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_database_code_amcsd 0009955 |
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10.1541 10.1541 2.9735 90 90 90 I4/m |
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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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K1 0 0 .5 .19 .039 .041 .041 .035 0 0 0 |
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K2 0 0 .305 .294 .050 .0172 .0172 .116 0 0 0 |
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Ti .350895 .167624 0 .9029 .00768 .00798 .00865 .00642 .00100 0 0 |
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Mg .350895 .167624 0 .0970 .00768 .00798 .00865 .00642 .00100 0 0 |
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O1 .15533 .20505 0 .00686 .00674 .00677 .00708 -.00009 0 0 |
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O2 .54050 .16559 0 .00827 .00576 .01080 .00824 .00024 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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| |
|
Hollandite |
|
Michiue Y |
|
Acta Crystallographica B63 (2007) 577-583 |
|
Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 |
|
(A = K, Rb) |
|
Locality: synthetic |
|
Sample: 2 |
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_database_code_amcsd 0009956 |
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10.1541 10.1541 2.9735 90 90 90 I4/m |
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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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K1 0 0 .5 .38 .044 .0284 .0284 .076 0 0 0 |
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K2 0 0 .250 .197 .0340 .0152 .0152 .072 0 0 0 |
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Ti .350896 .167627 0 .9039 .00769 .00798 .00865 .00642 .00101 0 0 |
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Mg .350896 .167627 0 .0961 .00769 .00798 .00865 .00642 .00101 0 0 |
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O1 .15535 .20504 0 .00686 .00671 .00677 .00709 -.00007 0 0 |
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O2 .54049 .16558 0 .00826 .00578 .01074 .00827 .00021 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
|
| |
|
Hollandite |
|
Michiue Y |
|
Acta Crystallographica B63 (2007) 577-583 |
|
Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 |
|
(A = K, Rb) |
|
Locality: synthetic |
|
Sample: 3 |
|
_database_code_amcsd 0009957 |
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10.1541 10.1541 2.9735 90 90 90 I4/m |
|
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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K1 0 0 .5 .297 .0445 .0328 .0328 .068 0 0 0 |
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K2 0 0 .282 .234 .0415 .0154 .0154 .094 0 0 0 |
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Ti .350895 .167625 0 .9043 .00769 .00798 .00866 .00642 .00101 0 0 |
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Mg .350895 .167625 0 .0957 .00769 .00798 .00866 .00642 .00101 0 0 |
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O1 .15533 .20504 0 .00687 .00674 .00679 .00707 -.00011 0 0 |
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O2 .54050 .16557 0 .00823 .00573 .01079 .00818 .00026 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
|
| |
|
Hollandite |
|
Michiue Y |
|
Acta Crystallographica B63 (2007) 577-583 |
|
Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 |
|
(A = K, Rb) |
|
Locality: synthetic |
|
Sample: 4 |
|
_database_code_amcsd 0009958 |
|
10.1541 10.1541 2.9735 90 90 90 I4/m |
|
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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K1 0 0 .5 .310 .0363 .0292 .0292 .051 0 0 0 |
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K2 0 0 .266 .230 .0371 .0164 .0164 .079 0 0 0 |
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Ti .350896 .167626 0 .9038 .00768 .00798 .00865 .00642 .00101 0 0 |
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Mg .350896 .167626 0 .0962 .00768 .00798 .00865 .00642 .00101 0 0 |
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O1 .15535 .20504 0 .00686 .00671 .00676 .00709 -.00007 0 0 |
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O2 .54050 .16558 0 .00827 .00577 .01073 .00829 .00021 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hollandite |
|
Michiue Y |
|
Acta Crystallographica B63 (2007) 577-583 |
|
Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 |
|
(A = K, Rb) |
|
Locality: synthetic |
|
Sample: 5 |
|
_database_code_amcsd 0009959 |
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10.2052 10.2052 2.9717 90 90 90 I4/m |
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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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Rb1 0 0 .5 .592 .074 .0164 .0164 .188 0 0 0 |
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Rb2 0 0 .3020 .081 .0089 .0071 .0071 .012 0 0 0 |
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Ti .34990 .16657 0 .9057 .00742 .00775 .00868 .00584 .00091 0 0 |
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Mg .349898 .166572 0 .0943 .00742 .00775 .00868 .00584 .00091 0 0 |
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O1 .15622 .20689 0 .00665 .0066 .0068 .0065 -.0001 0 0 |
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O2 .53972 .16623 0 .00819 .0057 .0106 .0083 .0002 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hollandite |
|
Michiue Y |
|
Acta Crystallographica B63 (2007) 577-583 |
|
Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 |
|
(A = K, Rb) |
|
Locality: synthetic |
|
Sample: 6 |
|
_database_code_amcsd 0009960 |
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10.2052 10.2052 2.9717 90 90 90 I4/m |
|
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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Rb1 0 0 .5 .588 .072 .0165 .0165 .182 0 0 0 |
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Rb2 0 0 .299 .083 .0091 .0072 .0072 .013 0 0 0 |
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Ti .34990 .16657 0 .9057 .00742 .00774 .00868 .00584 .00091 0 0 |
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Mg .349899 .166573 0 .0943 .00742 .00774 .00868 .00584 .00091 0 0 |
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O1 .15623 .20688 0 .00665 .0066 .0068 .0065 -.0001 0 0 |
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O2 .53972 .16623 0 .00820 .0057 .0106 .0083 .0002 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hollandite |
|
Michiue Y |
|
Acta Crystallographica B63 (2007) 577-583 |
|
Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 |
|
(A = K, Rb) |
|
Locality: synthetic |
|
Sample: 7 |
|
_database_code_amcsd 0009961 |
|
10.2052 10.2052 2.9717 90 90 90 I4/m |
|
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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Rb1 0 0 .5 .251 .0229 .0184 .0184 .032 0 0 0 |
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Rb2 0 0 .3266 .250 .0218 .0120 .0120 .0412 0 0 0 |
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Ti1 .34990 .16657 0 .9062 .00739 .00773 .00865 .00581 .00090 0 0 |
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Mg1 .349903 .166575 0 .0938 .00739 .00773 .00865 .00581 .00090 0 0 |
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O1 .15623 .20686 0 .00663 .0066 .0068 .0065 -.0001 0 0 |
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O2 .53975 .16621 0 .00818 .0056 .0106 .0083 .0002 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hollandite |
|
Michiue Y |
|
Acta Crystallographica B63 (2007) 577-583 |
|
Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 |
|
(A = K, Rb) |
|
Locality: synthetic |
|
Sample: 8 |
|
_database_code_amcsd 0009962 |
|
10.2052 10.2052 2.9717 90 90 90 I4/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Rb1 0 0 .5 .255 .0210 .0178 .0178 .028 0 0 0 |
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Rb2 0 0 .3230 .248 .0208 .0123 .0123 .0380 0 0 0 |
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Ti .34990 .16657 0 .9061 .00740 .00773 .00866 .00581 .00090 0 0 |
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Mg .349902 .166575 0 .0939 .00740 .00773 .00866 .00581 .00090 0 0 |
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O1 .15623 .20687 0 .00664 .0066 .0068 .0065 -.0001 0 0 |
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O2 .53975 .16622 0 .00818 .0056 .0106 .0084 .0002 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hollandite |
|
Michiue Y |
|
Acta Crystallographica B63 (2007) 577-583 |
|
Probability density analyses of guest ions in hollandite AxMgx/2Ti8-x/2O16 |
|
(A = K, Rb) |
|
Locality: synthetic |
|
Sample: 9 |
|
_database_code_amcsd 0009963 |
|
10.2052 10.2052 2.9717 90 90 90 I4/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Rb1 0 0 .5 .270 .0232 .013 .013 .044 0 0 0 |
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Rb2 0 0 .326 .243 .031 .0160 .0160 .062 0 0 0 |
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Ti .34990 .16657 0 .9054 .00743 .00776 .00869 .00584 .00090 0 0 |
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Mg .349897 .166572 0 .0946 .00743 .00776 .00869 .00584 .00090 0 0 |
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O1 .15622 .20689 0 .00669 .0067 .0069 .0065 -.0001 0 0 |
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O2 .53972 .16622 0 .00821 .0057 .0107 .0083 .0002 0 0 |
|
|
| 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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