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Biotite |
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Ohta T, Takeda H, Takeuchi Y |
 |
American Mineralogist 67 (1982) 298-310 |
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Mica polytypism: Similarities in the crystal structures of coexisting 1M and |
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2M(1) oxybiotite |
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_database_code_amcsd 0000861 |
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5.3204 9.210 10.104 90 100.102 90 C2/m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg1 0 0 .5 .624 .0040 .0012 .0033 0 .0012 0 |
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Fe1 0 0 .5 .190 .0040 .0012 .0033 0 .0012 0 |
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Al1 0 0 .5 .186 .0040 .0012 .0033 0 .0012 0 |
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Mg2 0 .34538 .5 .507 .0033 .00286 .00308 0 .00073 0 |
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Fe2 0 .34538 .5 .289 .0033 .00286 .00308 0 .00073 0 |
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Ti2 0 .34538 .5 .168 .0033 .00286 .00308 0 .00073 0 |
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Al2 0 .34538 .5 .036 .0033 .00286 .00308 0 .00073 0 |
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Si .0730 .16733 .22283 .71 .0045 .00158 .00313 .00004 .00087 .00001 |
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Al .0730 .16733 .22283 .266 .0045 .00158 .00313 .00004 .00087 .00001 |
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Fe .0730 .16733 .22283 .024 .0045 .00158 .00313 .00004 .00087 .00001 |
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K 0 .5 0 .0167 .0053 .0075 0 .0023 0 |
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O1 .0177 0 .1666 .0146 .0026 .0041 0 .0006 0 |
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O2 .3217 .2315 .1645 .0098 .0044 .0040 -.0019 .0017 -.0005 |
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O3 .1298 .1697 .3905 .0049 .0015 .0031 .0001 .0011 -.0001 |
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O4 .1335 .5 .4006 .0057 .0022 .0030 0 .0010 0 |
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Biotite |
|
Ohta T, Takeda H, Takeuchi Y |
|
American Mineralogist 67 (1982) 298-310 |
|
Mica polytypism: Similarities in the crystal structures of coexisting 1M and |
|
2M(1) oxybiotite |
|
Sample: in the 2M1 setting |
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_database_code_amcsd 0000862 |
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5.3175 9.212 19.976 90 95.09 90 C2/c |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg1 .75 .25 0 .612 .0051 .0015 .00071 0 .00014 0 |
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Fe1 .75 .25 0 .200 .0051 .0015 .00071 0 .00014 0 |
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Al1 .75 .25 0 .188 .0051 .0015 .00071 0 .00014 0 |
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Mg2 .2321 .07750 -.00001 .513 .0077 .00186 .00068 .0016 0 .00009 |
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Fe2 .2321 .07750 -.00001 .296 .0077 .00186 .00068 .0016 0 .00009 |
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Ti2 .2321 .07750 -.00001 .168 .0077 .00186 .00068 .0016 0 .00009 |
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Al2 .2321 .07750 -.00001 .023 .0077 .00186 .00068 .0016 0 .00009 |
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Si1 .4624 .24902 .13850 .712 .0046 .0015 .00065 .0003 .00007 0 |
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Al1 .4624 .24902 .13850 .280 .0046 .0015 .00065 .0003 .00007 0 |
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Fe1 .4624 .24902 .13850 .008 .0046 .0015 .00065 .0003 .00007 0 |
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Si2 .9645 .4163 .13857 .708 .0049 .0017 .00063 .0003 .00003 .00004 |
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Al2 .9645 .4163 .13857 .264 .0049 .0017 .00063 .0003 .00003 .00004 |
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Fe2 .9645 .4163 .13857 .028 .0049 .0017 .00063 .0003 .00003 .00004 |
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K 0 .0832 .25 .0164 .0056 .00178 0 .00043 0 |
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O11 .7421 .3139 .1664 .0102 .0047 .00089 -.0016 .0001 .00015 |
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O21 .2416 .3512 .1677 .0103 .0045 .00088 .0024 -.0001 -.00032 |
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O22 .4352 .0822 .1675 .0163 .0028 .00085 -.0001 .0008 0 |
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O31 .4309 .2477 .05473 .0054 .0017 .00064 .0011 .0001 -.0001 |
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O32 .9392 .4172 .05466 .0053 .0018 .00060 .0014 0 -.0001 |
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O4 .9333 .0827 .04994 .0071 .0023 .00066 .0020 0 -.0003 |
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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
|
| |
|
Biotite |
|
Ohta T, Takeda H, Takeuchi Y |
|
American Mineralogist 67 (1982) 298-310 |
|
Mica polytypism: Similarities in the crystal structures of coexisting 1M and |
|
2M(1) oxybiotite |
|
Sample: in the 2M1 setting |
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_database_code_amcsd 0000863 |
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5.3183 9.211 10.105 90 100.09 90 C2/m |
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atom x y z occ |
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Mg1 -.00005 -.00005 .5000 .612 |
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Fe1 -.00005 -.00005 .5000 .200 |
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Al1 -.00005 -.00005 .5000 .188 |
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Mg2 .0001 .34513 .5000 .513 |
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Fe2 .0001 .34513 .5000 .296 |
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Ti2 .0001 .34513 .5000 .168 |
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Al2 .0001 .34513 .5000 .023 |
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Si1 .0732 .16733 .22299 .356 |
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Al1 .0732 .16733 .22299 .140 |
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Fe1 .0732 .16733 .22299 .004 |
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Si2 .0731 .16734 .22286 .354 |
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Al2 .0731 .16734 .22286 .132 |
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Fe2 .0731 .16734 .22286 .014 |
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K 0 .5 0 |
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O11 .0167 .0003 .1671 |
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O21 .3223 .2315 .1647 |
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O22 .3221 .2309 .1651 |
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O31 .1287 .1698 .3905 |
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O32 .1288 .1691 .3907 |
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O4 .1324 .4998 .4001 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Zunyite |
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Baur W H, Ohta T |
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Acta Crystallographica B38 (1982) 390-401 |
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The Si5O16 pentamer in zunyite refined and empirical relations for individual |
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silicon-oxygen bonds |
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Locality: Quartzsite, Arizona, USA |
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_database_code_amcsd 0009752 |
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13.8654 13.8654 13.8654 90 90 90 F-43m |
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atom x y z occ Biso |
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Si1 .25 .25 .25 .31 |
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Si2 .11430 .11430 .11430 .26 |
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Al1 .75 .75 .75 .25 |
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Al2 .08556 .08556 .76670 .35 |
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O1 .82478 .82478 .82478 .35 |
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O2 .18243 .18243 .18243 .89 |
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O3 .27949 0 0 .66 |
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O4 .17870 .17870 .54601 2/3 .63 |
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F4 .17870 .17870 .54601 1/3 .63 |
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O5 .13834 .13834 .00152 .44 |
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Cl .5 .5 .5 .77 |
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H1a .228 .228 .530 1/3 13.00 |
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H1b .190 .190 .480 1/3 13.00 |
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H2 .336 0 0 1.90 |
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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
|
| |
|
Zunyite |
|
Baur W H, Ohta T |
|
Acta Crystallographica B38 (1982) 390-401 |
|
The Si5O16 pentamer in zunyite refined and empirical relations for individual |
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silicon-oxygen bonds |
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Locality: Zuni Mine, Colorado, USA |
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Sample: M9003 |
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_database_code_amcsd 0009753 |
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13.8796 13.8796 13.8796 90 90 90 F-43m |
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atom x y z occ Biso |
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Si1 .25 .25 .25 .75 .37 |
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Al1 .25 .25 .25 .25 .37 |
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Si2 .11399 .11399 .11399 .30 |
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Al1 .75 .75 .75 .30 |
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Al2 .08565 .08565 .76675 .38 |
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O1 .82472 .82472 .82472 .38 |
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O2 .18128 .18128 .18128 1.07 |
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O3 .27927 0 0 .67 |
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O4 .17866 .17866 .54558 2/3 .68 |
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F4 .17866 .17866 .54558 1/3 .68 |
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O5 .13802 .13802 .00119 .49 |
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Cl .5 .5 .5 .92 |
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H1a .228 .228 .530 1/3 13.00 |
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H1b .190 .190 .480 1/3 13.00 |
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H2 .352 0 0 1.90 |
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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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