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Thortveitite |
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Bianchi R, Pilati T, Diella V, Gamaccioli C M, Mannucci G |
 |
American Mineralogist 73 (1988) 601-607 |
|
A re-examination of thortveitite |
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Sample 1 from Iveland |
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_database_code_amcsd 0001160 |
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6.650 8.616 4.686 90 102.20 90 C2/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sc 0 .30503 .5 .56 .0074 .0082 .0082 0 .0003 0 |
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Y 0 .30503 .5 .44 .0074 .0082 .0082 0 .0003 0 |
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Si .22108 0 -.08762 .98 .0079 .0086 .0056 0 -.0007 0 |
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Al .22108 0 -.08762 .02 .0079 .0086 .0056 0 -.0007 0 |
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O1 0 0 0 .0075 .0777 .0426 0 .0083 0 |
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O2 .38654 0 .22171 .0095 .0106 .0062 0 -.0016 0 |
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O3 .23655 .15499 -.28174 .0262 .0086 .0095 .0023 .0022 .0021 |
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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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| |
|
Thortveitite |
|
Bianchi R, Pilati T, Diella V, Gamaccioli C M, Mannucci G |
|
American Mineralogist 73 (1988) 601-607 |
|
A re-examination of thortveitite |
|
Sample 2 from Setesdalen |
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_database_code_amcsd 0001161 |
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6.587 8.547 4.695 90 102.65 90 C2/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sc 0 .30670 .5 .69 .0087 .0088 .0109 0 .0007 0 |
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Y 0 .30670 .5 .31 .0087 .0088 .0109 0 .0007 0 |
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Si .22179 0 -.08941 .98 .0094 .0101 .0082 0 .0001 0 |
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Al .22179 0 -.08941 .02 .0094 .0101 .0082 0 .0001 0 |
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O1 0 0 0 .0116 .0706 .0416 0 .0117 0 |
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O2 .38887 0 .22133 .0114 .0113 .0086 0 .0000 0 |
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O3 .23544 .15622 -.28405 .0231 .0103 .0127 .0028 .0034 .0021 |
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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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| |
|
Thortveitite |
|
Bianchi R, Pilati T, Diella V, Gamaccioli C M, Mannucci G |
|
American Mineralogist 73 (1988) 601-607 |
|
A re-examination of thortveitite |
|
Sample 3 from Flat, Evje |
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_database_code_amcsd 0001162 |
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6.582 8.555 4.693 90 102.59 90 C2/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sc 0 .30666 .5 .80 .0075 .0074 .0084 0 .0006 0 |
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Y 0 .30666 .5 .20 .0075 .0074 .0084 0 .0006 0 |
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Si .22221 0 -.08977 .98 .0087 .0085 .0063 0 -.0002 0 |
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Al .22211 0 -.08977 .02 .0087 .0085 .0063 0 -.0002 0 |
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O1 0 0 0 .0141 .0557 .0328 0 .0086 0 |
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O2 .38959 0 .22099 .0099 .0097 .0070 0 -.0012 0 |
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O3 .23522 .15615 -.28407 .0208 .0091 .0104 .0022 .0046 .0022 |
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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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| |
|
Thortveitite |
|
Bianchi R, Pilati T, Diella V, Gamaccioli C M, Mannucci G |
|
American Mineralogist 73 (1988) 601-607 |
|
A re-examination of thortveitite |
|
Sample 4 from Malagasy Republic |
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_database_code_amcsd 0001163 |
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6.527 8.507 4.691 90 102.78 90 C2/m |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sc 0 .30881 .5 .92 .0051 .0054 .0068 0 .0005 0 |
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Y 0 .30881 .5 .08 .0051 .0054 .0068 0 .0005 0 |
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Si .22319 0 -.09105 .98 .0051 .0063 .0048 0 .0003 0 |
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Al .22319 0 -.09105 .02 .0051 .0063 .0048 0 .0003 0 |
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O1 0 0 0 .0074 .0369 .0224 0 .0074 0 |
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O2 .39182 0 .22124 .0075 .0074 .0055 0 -.0009 0 |
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O3 .23532 .15709 -.28576 .0112 .0074 .0084 .0022 .0024 .0024 |
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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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Sarrabusite |
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Gemmi M, Campostrini I, Demartin F, Gorelik T E, Gamaccioli C M |
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Acta Crystallographica B68 (2012) 15-23 |
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Structure of the new mineral sarrabusite, Pb5CuCl4(SeO3)4, |
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solved by manual electron-diffraction tomography |
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Note: Manual data, this is the prefered structure |
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Locality: Baccu Locci mine, near Villaputzu, Sardinia, Italy |
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_database_code_amcsd 0018632 |
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24.917 5.506 14.242 90 101.77 90 C2/c |
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atom x y z Uiso |
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Pb1 .1059 .0639 .1742 .031 |
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Pb2 .2686 .0123 .3721 .031 |
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Pb3 0 .562 .25 .031 |
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Se1 .1626 1.508 .3293 .019 |
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Se2 .0461 .003 .4147 .019 |
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Cu1 0 .5 .5 .020 |
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Cl1 .2971 .490 .456 .037 |
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Cl2 .1203 .507 .534 .037 |
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O1 .1810 .730 .270 .019 |
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O2 .0641 .932 .309 .019 |
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O3 .1886 .247 .285 .019 |
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O4 .0067 .263 .382 .019 |
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O5 -.0173 .807 .404 .019 |
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O6 .1033 .430 .254 .019 |
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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
|
| |
|
Sarrabusite |
| |
Gemmi M, Campostrini I, Demartin F, Gorelik T E, Gamaccioli C M |
|
Acta Crystallographica B68 (2012) 15-23 |
|
Structure of the new mineral sarrabusite, Pb5CuCl4(SeO3)4, |
|
solved by manual electron-diffraction tomography |
|
Note: Automated data |
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Locality: Baccu Locci mine, near Villaputzu, Sardinia, Italy |
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_database_code_amcsd 0018633 |
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24.917 5.506 14.242 90 101.77 90 C2/c |
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atom x y z Uiso |
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Pb1 .1079 .0627 .1731 .0333 |
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Pb2 .2680 .0103 .3680 .0333 |
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Pb3 0 .5542 .25 .0333 |
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Se1 .1649 .4985 .3261 .027 |
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Se2 .0445 .0084 .4093 .027 |
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Cu 0 .5 .5 .036 |
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Cl1 .2931 .495 .4599 .035 |
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Cl2 .1017 .499 .5323 .035 |
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O1 .1859 .748 .2764 .026 |
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O2 .0681 .888 .3061 .026 |
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O3 .1944 .252 .2709 .026 |
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O4 .0022 .253 .3816 .026 |
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O5 -.0129 .788 .4094 .026 |
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O6 .0995 .404 .2716 .026 |
|
|
| 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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