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Benitoite |
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Hejny C, Miletich R, Jasser A, Schouwink P, Crichton W, Kahlenberg V |
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American Mineralogist 97 (2012) 1749-1763 |
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Second-order P6c2-P31c transition and structural crystallography of |
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the cyclosilicate benitoite, BaTiSi3O9, at high pressure |
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Note: P = 0.0001 GPa |
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Locality: San Benito, California, USA |
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_database_code_amcsd 0019506 |
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6.6430 6.6430 9.7660 90 90 120 P-6c2 |
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atom x y z Uiso |
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Ba 2/3 1/3 0 .0074 |
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Ti 1/3 2/3 0 .0032 |
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Si .0705 .7817 .25 .0014 |
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O1 .809 .745 .25 .0024 |
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O2 .0862 .6578 .3877 .0039 |
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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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Benitoite |
|
Hejny C, Miletich R, Jasser A, Schouwink P, Crichton W, Kahlenberg V |
| |
American Mineralogist 97 (2012) 1749-1763 |
|
Second-order P6c2-P31c transition and structural crystallography of |
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the cyclosilicate benitoite, BaTiSi3O9, at high pressure |
|
Note: P = 1.12 GPa |
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Locality: San Benito, California, USA |
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_database_code_amcsd 0019507 |
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6.6094 6.6094 9.7239 90 90 120 P-6c2 |
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atom x y z Uiso |
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Ba 2/3 1/3 0 .0164 |
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Ti 1/3 2/3 0 .0114 |
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Si .0707 .7821 .25 .0094 |
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O1 .810 .746 .25 .010 |
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O2 .0861 .6555 .3878 .0118 |
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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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Benitoite |
|
Hejny C, Miletich R, Jasser A, Schouwink P, Crichton W, Kahlenberg V |
| |
American Mineralogist 97 (2012) 1749-1763 |
|
Second-order P6c2-P31c transition and structural crystallography of |
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the cyclosilicate benitoite, BaTiSi3O9, at high pressure |
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Note: P = 2.14 GPa |
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Locality: San Benito, California, USA |
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_database_code_amcsd 0019508 |
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6.6031 6.6031 9.710 90 90 120 P-6c2 |
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atom x y z Uiso |
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Ba 2/3 1/3 0 .0090 |
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Ti 1/3 2/3 0 .0040 |
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Si .0698 .7814 .25 .0022 |
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O1 .809 .747 .25 .002 |
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O2 .0867 .6568 .3881 .0047 |
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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) |
| |
|
Benitoite |
|
Hejny C, Miletich R, Jasser A, Schouwink P, Crichton W, Kahlenberg V |
| |
American Mineralogist 97 (2012) 1749-1763 |
|
Second-order P6c2-P31c transition and structural crystallography of |
|
the cyclosilicate benitoite, BaTiSi3O9, at high pressure |
|
Note: P = 3.56 GPa |
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Locality: San Benito, California, USA |
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_database_code_amcsd 0019509 |
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6.5689 6.5689 9.6804 90 90 120 P-6c2 |
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atom x y z Uiso |
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Ba 2/3 1/3 0 .0087 |
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Ti 1/3 2/3 0 .0024 |
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Si .0687 .7803 .25 .0015 |
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O1 .808 .743 .25 .002 |
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O2 .0851 .6533 .3874 .0031 |
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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) |
| |
|
Benitoite |
|
Hejny C, Miletich R, Jasser A, Schouwink P, Crichton W, Kahlenberg V |
| |
American Mineralogist 97 (2012) 1749-1763 |
|
Second-order P6c2-P31c transition and structural crystallography of |
|
the cyclosilicate benitoite, BaTiSi3O9, at high pressure |
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Note: P = 4.01 GPa |
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Locality: San Benito, California, USA |
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_database_code_amcsd 0019510 |
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6.5605 6.5605 9.6574 90 90 120 P-6c2 |
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atom x y z Uiso |
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Ba 2/3 1/3 0 .0079 |
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Ti 1/3 2/3 0 .002 |
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Si .0688 .7806 .25 .0004 |
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O1 .812 .745 .25 .001 |
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O2 .087 .653 .3877 .002 |
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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) |
| |
|
Benitoite |
|
Hejny C, Miletich R, Jasser A, Schouwink P, Crichton W, Kahlenberg V |
| |
American Mineralogist 97 (2012) 1749-1763 |
|
Second-order P6c2-P31c transition and structural crystallography of |
|
the cyclosilicate benitoite, BaTiSi3O9, at high pressure |
|
Note: P = 4.28 GPa |
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Locality: San Benito, California, USA |
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_database_code_amcsd 0019511 |
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6.5518 6.5518 9.6503 90 90 120 P-6c2 |
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atom x y z Uiso |
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Ba 2/3 1/3 0 .0086 |
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Ti 1/3 2/3 0 .002 |
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Si .0687 .7813 .25 .0018 |
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O1 .811 .745 .25 .001 |
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O2 .086 .653 .3882 .001 |
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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) |
| |
|
Benitoite |
|
Hejny C, Miletich R, Jasser A, Schouwink P, Crichton W, Kahlenberg V |
| |
American Mineralogist 97 (2012) 1749-1763 |
|
Second-order P6c2-P31c transition and structural crystallography of |
|
the cyclosilicate benitoite, BaTiSi3O9, at high pressure |
|
Note: P = 4.75 GPa |
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Locality: San Benito, California, USA |
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_database_code_amcsd 0019512 |
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11.3382 11.3382 9.6584 90 90 120 P31c |
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atom x y z Uiso |
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Ba1 0 0 0 .010 |
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Ba2 2/3 1/3 .026 .009 |
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Ba3 1/3 2/3 .027 .00981 |
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Ti .333 .999 .0181 .005 |
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Si1 .717 .881 .2631 .005 |
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Si2 .170 .787 .770 .002 |
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Si3 .497 .949 .271 .003 |
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O11 .044 .817 .774 .003 |
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O12 .625 .106 .266 .006 |
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O13 .563 .851 .260 .010 |
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O21 .758 .835 .122 .007 |
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O22 .415 .160 .133 .005 |
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O23 .402 .911 .137 .003 |
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O21m .821 .749 .897 .005 |
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O22m .262 .836 .907 .008 |
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O23m .500 .086 .913 .004 |
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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) |
| |
|
Benitoite |
|
Hejny C, Miletich R, Jasser A, Schouwink P, Crichton W, Kahlenberg V |
| |
American Mineralogist 97 (2012) 1749-1763 |
|
Second-order P6c2-P31c transition and structural crystallography of |
|
the cyclosilicate benitoite, BaTiSi3O9, at high pressure |
|
Note: P = 5.29 GPa |
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Locality: San Benito, California, USA |
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_database_code_amcsd 0019513 |
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11.3177 11.3177 9.6293 90 90 120 P31c |
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atom x y z Uiso |
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Ba1 0 0 0 .0043 |
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Ba2 2/3 1/3 .0370 .0094 |
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Ba3 1/3 2/3 .0375 .0092 |
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Ti .3332 .9993 .0265 .0040 |
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Si1 .7168 .8803 .2673 .0052 |
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Si2 .1713 .7885 .7783 .0006 |
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Si3 .4980 .9501 .2805 .0013 |
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O11 .0428 .8168 .7847 .003 |
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O12 .6213 .1059 .2736 .011 |
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O13 .5594 .8473 .2660 .003 |
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O21 .7601 .8404 .1253 .007 |
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O22 .4097 .1584 .1370 .004 |
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O23 .3969 .9099 .1456 .003 |
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O21m .8198 .7478 .9018 .004 |
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O22m .2592 .8346 .9175 .011 |
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O23m .5037 .0875 .9240 .002 |
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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) |
| |
|
Benitoite |
|
Hejny C, Miletich R, Jasser A, Schouwink P, Crichton W, Kahlenberg V |
| |
American Mineralogist 97 (2012) 1749-1763 |
|
Second-order P6c2-P31c transition and structural crystallography of |
|
the cyclosilicate benitoite, BaTiSi3O9, at high pressure |
|
Note: P = 6.14 GPa |
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Locality: San Benito, California, USA |
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_database_code_amcsd 0019514 |
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11.2984 11.2984 9.6051 90 90 120 P31c |
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atom x y z Uiso |
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Ba1 0 0 0 .0081 |
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Ba2 2/3 1/3 .0460 .0147 |
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Ba3 1/3 2/3 .0463 .0141 |
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Ti .3326 .9989 .0321 .0068 |
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Si1 .7166 .8800 .2702 .0075 |
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Si2 .1718 .7883 .7845 .0065 |
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Si3 .4969 .9508 .2862 .0084 |
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O11 .0429 .8151 .7919 .004 |
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O12 .6209 .1054 .2773 .019 |
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O13 .5595 .8484 .2663 .013 |
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O21 .7628 .8439 .1293 .017 |
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O22 .4084 .1562 .1436 .006 |
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O23 .3931 .9088 .1585 .009 |
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O21m .8165 .7464 .9035 .009 |
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O22m .2662 .8369 .9189 .012 |
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O23m .5044 .0890 .9331 .008 |
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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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Benitoite |
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Zachariasen W H |
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Zeitschrift fur Kristallographie 74 (1930) 139-146 |
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The crystal structure of benitoite, BaTiSi3O9 |
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Locality: Dallas Gem Mine, San Benito, Ca |
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_database_code_amcsd 0010497 |
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6.60 6.60 9.74 90 90 120 P-6c2 |
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atom x y z |
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Ba 2/3 1/3 0 |
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Ti 1/3 2/3 0 |
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Si .056 .278 .25 |
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O1 .222 .195 .25 |
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O2 .083 .430 .117 |
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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) |
| |
|
Benitoite |
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Zachariasen W |
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Zeitschrift fur Kristallographie 74 (1930) 139-146 |
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The crystal structure of Benitoite Ba Ti Si3 O9 |
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_cod_database_code 1010959 |
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_database_code_amcsd 0017678 |
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6.60 6.60 9.71 90 90 120 P-6c2 |
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atom x y z |
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Ba1 2/3 1/3 0 |
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Si1 .222 -.056 .25 |
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O1 .222 .194 .25 |
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Ti1 1/3 2/3 0 |
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O2 .347 -.083 .1167 |
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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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Benitoite |
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Fisher V K |
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Zeitschrift fur Kristallographie 129 (1969) 222-243 |
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Verfeinerung der kristallstruktur von benitoit BaTi[Si3O9] |
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Sample: Dallas Gem Mine, San Benito, Ca |
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_database_code_amcsd 0010684 |
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6.6410 6.6410 9.759 90 90 120 P-6c2 |
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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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Ba 2/3 1/3 0 |
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Ti 1/3 2/3 0 |
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Si .07113 .28941 .25 .00227 .00213 .00066 .00119 0 0 |
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O1 .25348 .19273 .25 .00380 .00328 .00281 .00178 0 0 |
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O2 .08800 .43019 .11275 .00464 .00535 .00162 .00236 .00049 .00143 |
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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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