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Berdesinskiite |
 |
Armbruster T, Galuskin E V, Reznitsky L Z, Sklyarov E V |
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European Journal of Mineralogy 21 (2009) 885-891 |
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X-ray structural investigation of the oxyvanite (V3O5) - berdesinskiite (V2TiO5) |
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series: V4+ substituting for octahedrally coordinated Ti4+ |
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Locality: Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia |
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Sample: Crystal II-7-21 |
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_database_code_amcsd 0007329 |
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10.0546 5.0603 7.0111 90 110.845 90 C2/c |
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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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V4+1 0 0 0 .460 .00478 .00507 .00406 .00521 .00083 .00184 .00068 |
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Ti4+1 0 0 0 .540 .00478 .00507 .00406 .00521 .00083 .00184 .00068 |
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V3+2 -.12770 -.49833 -.21575 .831 .00824 .00949 .00824 .00850 .00165 .00507 .00200 |
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Cr3+2 -.12770 -.49833 -.21575 .163 .00824 .00949 .00824 .00850 .00165 .00507 .00200 |
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Fe3+2 -.12770 -.49833 -.21575 .006 .00824 .00949 .00824 .00850 .00165 .00507 .00200 |
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O1 .19284 .1550 .1520 .0091 .0068 .0082 .0102 -.0002 .0004 -.0013 |
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O2 .08118 -.3431 -.05671 .0068 .0085 .0050 .0072 -.0007 .0033 -.0010 |
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O3 0 .1926 -.25 .0069 .0078 .0064 .0068 0 .0032 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 (permalink) |
| |
|
Berdesinskiite |
|
Armbruster T, Galuskin E V, Reznitsky L Z, Sklyarov E V |
| |
European Journal of Mineralogy 21 (2009) 885-891 |
|
X-ray structural investigation of the oxyvanite (V3O5) - berdesinskiite (V2TiO5) |
|
series: V4+ substituting for octahedrally coordinated Ti4+ |
|
Locality: Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia |
|
Sample: III-7-22 |
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_database_code_amcsd 0007330 |
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10.033 5.039 6.988 90 111.50 90 C2/c |
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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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V4+1 0 0 0 .242 .0055 .0056 .0063 .0047 -.00038 .0019 -.00018 |
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Ti4+1 0 0 0 .758 .0055 .0056 .0063 .0047 -.00038 .0019 -.00018 |
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V3+2 -.12929 -.50103 -.21777 .690 .0092 .0103 .0104 .0079 -.00078 .0045 -.00129 |
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Cr3+2 -.12929 -.50103 -.21777 .305 .0092 .0103 .0104 .0079 -.00078 .0045 -.00129 |
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Al2 -.12929 -.50103 -.21777 .003 .0092 .0103 .0104 .0079 -.00078 .0045 -.00129 |
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Mg2 -.12929 -.50103 -.21777 .002 .0092 .0103 .0104 .0079 -.00078 .0045 -.00129 |
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O1 .19176 .1552 .1544 .0101 .0089 .0103 .0099 .0009 .0022 .0006 |
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O2 .0813 -.3446 -.0559 .0081 .0091 .0083 .0073 -.0012 .0033 -.0008 |
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O3 0 .1936 -.25 .0089 .0110 .0102 .0065 0 .0042 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Berdesinskiite |
|
Armbruster T, Galuskin E V, Reznitsky L Z, Sklyarov E V |
| |
European Journal of Mineralogy 21 (2009) 885-891 |
|
X-ray structural investigation of the oxyvanite (V3O5) - berdesinskiite (V2TiO5) |
|
series: V4+ substituting for octahedrally coordinated Ti4+ |
|
Locality: Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia |
|
Sample: III-9-11 |
|
_database_code_amcsd 0007331 |
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10.0448 5.0393 6.9890 90 111.486 90 C2/c |
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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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V4+1 0 0 0 .242 .0040 .0044 .0034 .0044 -.0002 .0020 -.0004 |
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Ti4+1 0 0 0 .758 .0040 .0044 .0034 .0044 -.0002 .0020 -.0004 |
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V3+2 -.13074 -.49931 -.22042 .690 .0078 .0085 .0080 .0077 .0005 .0041 -.0004 |
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Cr3+2 -.13074 -.49931 -.22042 .305 .0078 .0085 .0080 .0077 .0005 .0041 -.0004 |
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Al2 -.13074 -.49931 -.22042 .003 .0078 .0085 .0080 .0077 .0005 .0041 -.0004 |
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Mg2 -.13074 -.49931 -.22042 .002 .0078 .0085 .0080 .0077 .0005 .0041 -.0004 |
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O1 .1906 .1557 .1572 .0092 |
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O2 .0809 -.3439 -.0555 .0069 |
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O3 0 .1953 -.25 .0070 |
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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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