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Forsterite |
 |
Nord A G, Annersten H, Filippidis A |
 |
American Mineralogist 67 (1982) 1206-1211 |
|
The cation distribution in synthetic Mg-Fe-Ni olivines |
|
sample H2 |
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Locality: synthetic |
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_database_code_amcsd 0000885 |
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4.762 10.244 5.989 90 90 90 Pbnm |
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atom x y z occ Biso |
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Ni1 0 0 0 .45 -0.9 |
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Mg1 0 0 0 .43 -0.9 |
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Fe1 0 0 0 .12 -0.9 |
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Mg2 .989 .278 .25 .71 -0.9 |
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Fe2 .989 .278 .25 .22 -0.9 |
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Ni2 .989 .278 .25 .07 -0.9 |
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Si .418 .098 .25 -2.3 |
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O1 .776 .102 .25 -2.3 |
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O2 .207 .470 .25 -2.3 |
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O3 .274 .163 .029 -2.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Forsterite |
|
Nord A G, Annersten H, Filippidis A |
|
American Mineralogist 67 (1982) 1206-1211 |
|
The cation distribution in synthetic Mg-Fe-Ni olivines |
|
sample H4 |
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Locality: synthetic |
|
_database_code_amcsd 0000886 |
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4.747 10.193 5.951 90 90 90 Pbnm |
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atom x y z occ Biso |
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Ni1 0 0 0 .68 0.90 |
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Mg1 0 0 0 .30 0.90 |
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Fe1 0 0 0 .02 0.90 |
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Mg2 .986 .277 .25 .72 0.90 |
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Fe2 .986 .277 .25 .06 0.90 |
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Ni2 .986 .277 .25 .22 0.90 |
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Si .426 .096 .25 -0.3 |
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O1 .779 .101 .25 -0.3 |
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O2 .207 .458 .25 -0.3 |
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O3 .265 .167 .035 -0.3 |
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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) |
| |
|
Fluoro-richterite |
| |
Cameron M, Sueno S, Papike J J, Prewitt C T |
|
American Mineralogist 68 (1983) 924-943 |
|
High temperature crystal chemistry of K and Na fluor-richterites |
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Note: sample Na, T = 24 C |
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_database_code_amcsd 0000912 |
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9.938 17.952 5.258 90 106.62 90 I2/m |
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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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Si1 .281295 .915615 .985984 .001165 .000293 .004015 .000038 .000674 .000016 |
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Si2 .287536 .828860 .486283 .001172 .000347 .003915 .000096 .000586 .000046 |
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Mg1 0 .911155 .5 .001551 .000372 .004877 0 .000957 0 |
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Mg2 0 .821195 0 .001585 .000439 .005896 0 .000656 0 |
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Mg3 0 0 0 .001568 .000309 .004508 0 .000951 0 |
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Na 0 .724328 .5 .003405 .000610 .006387 0 -.000642 0 |
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Ca 0 .724328 .5 .003405 .000610 .006387 0 -.000642 0 |
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K .475620 .986849 .536544 .011674 .002323 .023153 -.002238 -.008467 .001005 |
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O1 .113197 .915735 .895138 .001336 .000399 .006160 -.000009 .000689 .000029 |
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O2 .118834 .832357 .392227 .001499 .000552 .005163 .000026 .000708 -.000281 |
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F3 .103057 0 .391039 .002283 .000507 .005936 0 .000354 0 |
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O4 .361302 .750988 .567769 .002676 .000538 .007022 .000436 .001278 .000263 |
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O5 .349210 .869419 .258496 .001790 .000719 .006791 .000007 .001025 .000771 |
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O6 .344776 .883070 .756179 .002200 .000688 .006326 -.000075 .001429 -.000814 |
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O7 .343561 0 .053998 .002071 .000321 .009710 0 .000561 0 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Fluoro-richterite |
| |
Cameron M, Sueno S, Papike J J, Prewitt C T |
|
American Mineralogist 68 (1983) 924-943 |
|
High temperature crystal chemistry of K and Na fluor-richterites |
|
Note: sample Na, T = 400 C |
|
_database_code_amcsd 0000913 |
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9.979 18.036 5.270 90 106.71 90 I2/m |
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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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Si1 .280399 .915874 .985783 .002212 .000596 .007001 .000089 .001141 -.000003 |
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Si2 .287218 .829369 .486744 .002404 .000712 .006998 .000196 .001035 .000038 |
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Mg1 0 .910867 .5 .003075 .000816 .008561 0 .001478 0 |
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Mg2 0 .820556 0 .003052 .000843 .010557 0 .014390 0 |
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Mg3 0 0 0 .003076 .000646 .008417 0 .001857 0 |
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Na 0 .723943 .5 .007284 .001104 .014194 0 -.001655 0 |
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Ca 0 .723943 .5 .007284 .001104 .014194 0 -.001655 0 |
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K .471512 .988462 .539990 .017534 .003916 .048638 -.003753 -.014281 -.000011 |
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O1 .113196 .915663 .895280 .002397 .000834 .008983 .000089 .000826 -.000254 |
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O2 .119168 .832412 .392321 .002470 .001115 .009893 .000148 .001181 -.000453 |
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F3 .102932 0 .390656 .004568 .001010 .013442 0 .001847 0 |
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O4 .361387 .752077 .565024 .005110 .000961 .013364 .000892 .002072 .000533 |
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O5 .347600 .870947 .260105 .003453 .001398 .011432 .000116 .001439 .001881 |
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O6 .343863 .882143 .759688 .003826 .001390 .010031 -.000119 .002362 -.001602 |
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O7 .341910 0 .048703 .003765 .000530 .022263 0 .001475 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) |
| |
|
Fluoro-richterite |
| |
Cameron M, Sueno S, Papike J J, Prewitt C T |
|
American Mineralogist 68 (1983) 924-943 |
|
High temperature crystal chemistry of K and Na fluor-richterites |
|
Note: sample Na, T = 600 C |
|
_database_code_amcsd 0000914 |
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10.008 18.087 5.278 90 106.69 90 I2/m |
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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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Si1 .279891 .915946 .985702 .002800 .000736 .008939 0.000093 0.001567 -.000063 |
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Si2 .287131 .829603 .486617 .002770 .000855 .009308 0.000245 0.001368 0.000096 |
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Mg1 0 .910749 .5 .003871 .001000 .010734 0 0.001766 0 |
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Mg2 0 .820152 0 .003976 .001073 .013237 0 0.001719 0 |
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Mg3 0 0 0 .003925 .000799 .011714 0 0.002904 0 |
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Na 0 .723597 .5 .009396 .001413 .018408 0 -.002370 0 |
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Ca 0 .723597 .5 .009396 .001413 .018408 0 -.002370 0 |
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K .470075 .988463 .542656 .019775 .004656 .052577 -.002971 -.013012 0.002437 |
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O1 .113094 .915579 .895356 .002979 .000984 .012620 0.000201 0.001626 -.000194 |
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O2 .119132 .832334 .392170 .003301 .001389 .011667 0.000181 0.001258 -.000490 |
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F3 .103301 0 .390878 .005529 .001260 .018094 0 0.002044 0 |
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O4 .361948 .752636 .564131 .006453 .001142 .017670 0.001132 0.002957 0.000571 |
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O5 .347232 .871696 .260310 .004116 .001736 .014426 0.000136 0.002453 0.002115 |
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O6 .343310 .882197 .759953 .004584 .001696 .014273 -.000037 0.002856 -.002037 |
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O7 .341288 0 .045692 .004690 .000680 .026755 0 0.001558 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) |
| |
|
Fluoro-richterite |
| |
Cameron M, Sueno S, Papike J J, Prewitt C T |
|
American Mineralogist 68 (1983) 924-943 |
|
High temperature crystal chemistry of K and Na fluor-richterites |
|
Note: sample Na, T = 800 C |
|
_database_code_amcsd 0000915 |
|
10.032 18.131 5.284 90 106.7 90 I2/m |
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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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Si1 .279351 .916091 .985628 .003265 .000854 .011115 0.000099 0.001800 -.000125 |
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Si2 .286891 .829825 .486654 .003490 .001003 .010967 0.000384 0.001741 0.000212 |
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Mg1 0 .910486 .5 .004453 .001198 .013517 0 0.001825 0 |
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Mg2 0 .819634 0 .004885 .001328 .015056 0 0.001936 0 |
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Mg3 0 0 0 .005089 .001087 .014447 0 0.004238 0 |
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Na 0 .723454 .5 .011438 .001648 .022841 0 -.003115 0 |
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Ca 0 .723454 .5 .011438 .001648 .022841 0 -.003115 0 |
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K .469233 .991334 .548098 .023289 .007652 .056224 -.006404 -.011892 0.002821 |
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O1 .113129 .915249 .895183 .003351 .001240 .015539 0.000164 0.001421 -.000301 |
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O2 .119610 .832196 .391848 .003880 .001597 .013276 0.000229 0.001081 -.000472 |
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F3 .103100 0 .391519 .007067 .001670 .020922 0 0.002355 0 |
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O4 .361824 .753412 .562946 .007952 .001247 .022929 0.001471 0.003830 0.000630 |
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O5 .346025 .872263 .260349 .005107 .002088 .016915 0.000280 0.002489 0.002309 |
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O6 .342653 .881909 .760649 .005756 .001980 .016465 0.000045 0.003859 -.002287 |
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O7 .340170 0 .044083 .005911 .000785 .029764 0 0.001859 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) |
| |
|
Fluoro-richterite |
| |
Cameron M, Sueno S, Papike J J, Prewitt C T |
|
American Mineralogist 68 (1983) 924-943 |
|
High temperature crystal chemistry of K and Na fluor-richterites |
|
Note: sample Na, T = 900 C |
|
_database_code_amcsd 0000916 |
|
10.043 18.149 5.286 90 106.69 90 I2/m |
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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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Si1 .279395 .916186 .985718 .003798 .001085 .013080 0.000107 0.003004 -.000159 |
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Si2 .287005 .829880 .487442 .004195 .001203 .012679 0.000259 0.003161 0.000012 |
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Mg1 0 .910418 .5 .005453 .001459 .015312 0 0.003529 0 |
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Mg2 0 .819395 0 .005538 .001519 .017567 0 0.003290 0 |
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Mg3 0 0 0 .005572 .001311 .017792 0 0.005865 0 |
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Na 0 .723460 .5 .013004 .001921 .025278 0 -.001699 0 |
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Ca 0 .723460 .5 .013004 .001921 .025278 0 -.001699 0 |
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K .467104 .988723 .552547 .025343 .008954 .063307 -.002776 -.013009 -.000704 |
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O1 .112887 .915169 .895422 .004713 .001447 .016057 -.000037 0.004119 -.000078 |
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O2 .119569 .832030 .391908 .004427 .001863 .016393 0.000175 0.002257 -.000281 |
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F3 .102901 0 .392338 .007932 .001803 .026652 0 0.003935 0 |
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O4 .362509 .753329 .565022 .008848 .001465 .026455 0.001275 0.006289 0.000093 |
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O5 .346180 .872464 .262337 .005742 .002315 .018274 0.000142 0.003459 0.002516 |
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O6 .342153 .881366 .760241 .006715 .002239 .017956 0.000121 0.004468 -.002203 |
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O7 .340252 0 .041793 .006706 .000982 .034537 0 0.002717 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) |
| |
|
Fluoro-richterite |
| |
Cameron M, Sueno S, Papike J J, Prewitt C T |
|
American Mineralogist 68 (1983) 924-943 |
|
High temperature crystal chemistry of K and Na fluor-richterites |
|
Note: sample K, T = 24 C |
|
_database_code_amcsd 0000917 |
|
9.992 17.972 5.260 90 105.80 90 I2/m |
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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) |
|
Si1 .277177 .915164 .976889 .001095 .000282 .004242 0.000112 0.000365 -.000031 |
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Si2 .285783 .828490 .480458 .001027 .000368 .003157 0.000032 0.000163 0.000003 |
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Mg1 0 .910661 .5 .001473 .000420 .003342 0 0.000826 0 |
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Mg2 0 .820963 0 .001677 .000364 .006682 0 0.000378 0 |
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Mg3 0 0 0 .001491 .000297 .005811 0 0.000376 0 |
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Na 0 .722749 .5 .003126 .000442 .005277 0 -.000671 0 |
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Ca 0 .722749 .5 .003126 .000442 .005277 0 -.000671 0 |
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K .485063 0 .508330 .011784 .002096 .033346 0 -.013013 0 |
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O1 .111233 .914972 .891862 .001153 .000407 .005131 0.000147 0.000661 -.000070 |
|
O2 .117991 .831357 .391820 .001306 .000561 .005132 -.000033 0.000801 -.000273 |
|
F3 .101463 0 .387457 .002033 .000527 .005912 0 -.000261 0 |
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O4 .360995 .751464 .564110 .002198 .000592 .007003 0.000679 0.000676 -.000072 |
|
O5 .345376 .869705 .249609 .001928 .000694 .005886 -.000083 0.000857 0.000550 |
|
O6 .341760 .882593 .748649 .001509 .000690 .006636 -.000038 0.000815 -.000785 |
|
O7 .335861 0 .032844 .002422 .000239 .009342 0 -.000171 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) |
| |
|
Fluoro-richterite |
| |
Cameron M, Sueno S, Papike J J, Prewitt C T |
|
American Mineralogist 68 (1983) 924-943 |
|
High temperature crystal chemistry of K and Na fluor-richterites |
|
Note: sample K, T = 400 C |
|
_database_code_amcsd 0000918 |
|
10.041 18.056 5.272 90 105.83 90 I2/m |
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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) |
|
Si1 .276177 .915547 .977002 .002152 .000610 .007375 0.000065 0.001249 0.000004 |
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Si2 .285421 .828897 .480690 .002103 .000651 .007030 0.000155 0.000645 0.000076 |
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Mg1 0 .910209 .5 .003012 .000770 .008699 0 0.001242 0 |
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Mg2 0 .820156 0 .002942 .000851 .010729 0 0.000563 0 |
|
Mg3 0 0 0 .003279 .000665 .008364 0 0.001268 0 |
|
Na 0 .722197 .5 .006764 .001053 .013550 0 -.001847 0 |
|
Ca 0 .722197 .5 .006764 .001053 .013550 0 -.001847 0 |
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K .482215 0 .525314 .019383 .003020 .037572 0 -.014580 0 |
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O1 .111184 .914716 .891798 .002381 .000907 .009824 0.000214 0.000497 -.000345 |
|
O2 .118032 .830999 .392406 .002599 .001165 .009653 0.000045 0.000920 -.000602 |
|
F3 .101850 0 .387746 .003860 .001389 .013062 0 0.000725 0 |
|
O4 .360771 .752215 .560540 .004456 .001012 .016637 0.001140 0.001538 0.000668 |
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O5 .343679 .870759 .250588 .003484 .001174 .010428 -.000030 0.001148 0.001121 |
|
O6 .340387 .882039 .750258 .003505 .001433 .010172 -.000023 0.001676 -.001427 |
|
O7 .334334 0 .029711 .004427 .000546 .019861 0 0.000407 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) |
| |
|
Fluoro-richterite |
| |
Cameron M, Sueno S, Papike J J, Prewitt C T |
|
American Mineralogist 68 (1983) 924-943 |
|
High temperature crystal chemistry of K and Na fluor-richterites |
|
Note: sample K, T = 600 C |
|
_database_code_amcsd 0000919 |
|
10.070 18.106 5.278 90 105.83 90 I2/m |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si1 .275351 .915535 .976894 .002599 .000748 .008620 0.000014 0.000793 -.000067 |
|
Si2 .285122 .829132 .480556 .002882 .000854 .008677 0.000272 0.001229 0.000214 |
|
Mg1 0 .910039 .5 .003685 .001094 .011581 0 0.001635 0 |
|
Mg2 0 .819693 0 .003835 .001026 .012349 0 0.000444 0 |
|
Mg3 0 0 0 .003888 .000904 .010287 0 0.002755 0 |
|
Na 0 .721732 .5 .008572 .001392 .018030 0 -.002557 0 |
|
Ca 0 .721732 .5 .008572 .001392 .018030 0 -.002557 0 |
|
K .475912 0 .526849 .015684 .003378 .046114 0 -.011537 0 |
|
O1 .110445 .914716 .891434 .003356 .001189 .011769 0.000199 0.000850 -.000644 |
|
O2 .118650 .830848 .392283 .002842 .001461 .010712 0.000212 0.001230 -.000641 |
|
F3 .102545 0 .387396 .005636 .001653 .013664 0 0.001416 0 |
|
O4 .361498 .753143 .559350 .006705 .001211 .019387 0.001199 0.002843 0.000462 |
|
O5 .343231 .871667 .250219 .003840 .001715 .013446 0.000240 0.001495 0.001751 |
|
O6 .339558 .881909 .751789 .004426 .001762 .012399 -.000226 0.002982 -.001973 |
|
O7 .333076 0 .028690 .004975 .000731 .024596 0 0.001239 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) |
| |
|
Fluoro-richterite |
| |
Cameron M, Sueno S, Papike J J, Prewitt C T |
|
American Mineralogist 68 (1983) 924-943 |
|
High temperature crystal chemistry of K and Na fluor-richterites |
|
Note: sample K, T = 800 C |
|
_database_code_amcsd 0000920 |
|
10.104 18.159 5.285 90 105.85 90 I2/m |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si1 .274855 .915721 .976838 .003363 .000958 .011589 0.000165 0.001450 -.000065 |
|
Si2 .284752 .829345 .480509 .003443 .001032 .011063 0.000228 0.001318 0.000070 |
|
Mg1 0 .909825 .5 .004978 .001283 .013404 0 0.002046 0 |
|
Mg2 0 .819130 0 .004983 .001445 .017141 0 0.001634 0 |
|
Mg3 0 0 0 .005317 .001206 .015200 0 0.003631 0 |
|
Na 0 .721602 .5 .010752 .001719 .022644 0 -.003039 0 |
|
Ca 0 .721602 .5 .010752 .001719 .022644 0 -.003039 0 |
|
K .474736 0 .533448 .018746 .004231 .049215 0 -.011018 0 |
|
O1 .110823 .914582 .890979 .003808 .001446 .016465 0.000114 0.002123 -.000431 |
|
O2 .119256 .830623 .392625 .003670 .001663 .016113 0.000489 0.001099 -.000480 |
|
F3 .101383 0 .388422 .007002 .001815 .021222 0 0.000515 0 |
|
O4 .361346 .753736 .559120 .008197 .001371 .023242 0.001420 0.002941 0.000653 |
|
O5 .342041 .872215 .251104 .005330 .002035 .016180 0.000133 0.002114 0.002148 |
|
O6 .338652 .881436 .751406 .005038 .001985 .017666 -.000113 0.003241 -.002126 |
|
O7 .331460 0 .026425 .006405 .000947 .028009 0 0.002117 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) |
| |
|
Bridgmanite |
| |
Horiuchi H, Ito E, Weidner D J |
|
American Mineralogist 72 (1987) 357-360 |
|
Perovskite-type MgSiO3: Single-crystal X-ray diffraction study |
|
Locality: synthetic |
|
_database_code_amcsd 0001071 |
|
4.7754 4.9292 6.8969 90 90 90 Pbnm |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg .5141 .5560 .25 .00480 .00459 .00257 .00044 0 0 |
|
Si .5 0 .5 .00296 .00298 .00100 -.00004 .00002 -.00009 |
|
O1 .1028 .4660 .25 .00376 .00472 .00090 .00011 0 0 |
|
O2 .1961 .2014 .5531 .00372 .00365 .00179 .00070 .00029 .00048 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Forsterite |
|
Miyake M, Nakamura H, Kojima H, Marumo F |
|
American Mineralogist 72 (1987) 594-598 |
|
Cation ordering in Co-Mg olivine solid-solution series |
|
Sample: Co03 |
|
_database_code_amcsd 0001086 |
|
4.760 10.221 5.984 90 90 90 Pbnm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Co1 0 0 0 .208 .0032 .0074 .0060 .0001 -.0006 -.0008 |
|
Mg1 0 0 0 .792 .0032 .0074 .0060 .0001 -.0006 -.0008 |
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Co2 .9913 .2771 .25 .053 .0039 .0052 .0063 .0003 0 0 |
|
Mg2 .9913 .2771 .25 .947 .0039 .0052 .0063 .0003 0 0 |
|
Si .4267 .0942 .25 .0021 .0056 .0053 .0002 0 0 |
|
O1 .7660 .0920 .25 .0027 .0069 .0065 -.0001 0 0 |
|
O2 .2200 .4470 .25 .0036 .0060 .0074 -.0001 0 0 |
|
O3 .2783 .1633 .0331 .0043 .0072 .0072 .0003 -.0006 .0018 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Forsterite |
|
Miyake M, Nakamura H, Kojima H, Marumo F |
|
American Mineralogist 72 (1987) 594-598 |
|
Cation ordering in Co-Mg olivine solid-solution series |
|
Sample: Co05 |
|
_database_code_amcsd 0001087 |
|
4.765 10.225 5.986 90 90 90 Pbnm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Co1 0 0 0 .316 .0040 .0063 .0045 -.0002 -.0005 -.0011 |
|
Mg1 0 0 0 .684 .0040 .0063 .0045 -.0002 -.0005 -.0011 |
|
Co2 .9911 .2770 .25 .085 .0049 .0042 .0054 .0003 0 0 |
|
Mg2 .9911 .2770 .25 .915 .0049 .0042 .0054 .0003 0 0 |
|
Si .4268 .0944 .25 .0029 .0041 .0043 .0001 0 0 |
|
O1 .7666 .0923 .25 .0033 .0072 .0058 .0005 0 0 |
|
O2 .2186 .4475 .25 .0053 .0044 .0067 .0001 0 0 |
|
O3 .2787 .1635 .0334 .0051 .0068 .0052 .0004 -.0002 .0016 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Forsterite |
|
Miyake M, Nakamura H, Kojima H, Marumo F |
|
American Mineralogist 72 (1987) 594-598 |
|
Cation ordering in Co-Mg olivine solid-solution series |
|
Sample: Co10 |
|
_database_code_amcsd 0001088 |
|
4.771 10.245 5.988 90 90 90 Pbnm |
|
atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Co1 0 0 0 .675 .0043 .0062 .0046 -.0002 -.0005 -.0010 |
|
Mg1 0 0 0 .325 .0043 .0062 .0046 -.0002 -.0005 -.0010 |
|
Co2 .9909 .2767 .25 .278 .0051 .0043 .0052 .0002 0 0 |
|
Mg2 .9909 .2767 .25 .722 .0051 .0043 .0052 .0002 0 0 |
|
Si .4274 .0948 .25 .0032 .0044 .0047 .0001 0 0 |
|
O1 .7674 .0930 .25 .0042 .0074 .0060 .0006 0 0 |
|
O2 .2160 .4477 .25 .0058 .0040 .0066 -.0001 0 0 |
|
O3 .2800 .1640 .0337 .0058 .0073 .0054 .0004 -.0004 .0014 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Forsterite |
|
Bostrom D |
|
American Mineralogist 72 (1987) 965-972 |
|
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid |
|
solutions |
|
Sample: XNi2+ = 0.00 |
|
_database_code_amcsd 0001118 |
|
4.749 10.1985 5.9792 90 90 90 Pbnm |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 0 0 0 .0173 .0078 .0127 -.0007 -.0047 -.0035 |
|
Mg2 .9913 .2773 .25 .0606 .0119 .0345 -.0004 0 0 |
|
Si .4261 .0940 .25 .0337 .0104 .0269 .0004 0 0 |
|
O1 .7658 .0919 .25 .0397 .0143 .0390 -.0008 0 0 |
|
O2 .221 .4470 .25 .0530 .0101 .0404 .0012 0 0 |
|
O3 .2774 .1630 .0329 .0508 .0148 .0343 .0029 -.0000 .0053 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Forsterite |
|
Bostrom D |
|
American Mineralogist 72 (1987) 965-972 |
|
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid |
|
solutions |
|
Sample: XNi2+ = .30 |
|
_database_code_amcsd 0001119 |
|
4.7447 10.1993 5.9567 90 90 90 Pbnm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 0 0 0 .464 .0501 .0156 .0314 -.0005 -.0040 -.0025 |
|
Ni1 0 0 0 .536 .0501 .0156 .0314 -.0005 -.0040 -.0025 |
|
Mg2 .9903 .2761 .25 .936 .0593 .0118 .0381 .0009 0 0 |
|
Ni2 .9903 .2761 .25 .064 .0593 .0118 .0381 .0009 0 0 |
|
Si .4257 .0937 .25 .0414 .0110 .0305 .0013 0 0 |
|
O1 .7662 .0926 .25 .0473 .0147 .0386 .0019 0 0 |
|
O2 .2193 .4461 .25 .0628 .0110 .0416 .0005 0 0 |
|
O3 .2761 .1628 .0321 .0629 .0149 .0354 .0005 -.0025 .0049 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Forsterite |
|
Bostrom D |
|
American Mineralogist 72 (1987) 965-972 |
|
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid |
|
solutions |
|
Sample: XNi2+ = .36 |
|
_database_code_amcsd 0001120 |
|
4.7437 10.1947 5.9508 90 90 90 Pbnm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 0 0 0 .376 .0252 .0092 .0250 -.0001 -.0033 -.0023 |
|
Ni1 0 0 0 .624 .0252 .0092 .0250 -.0001 -.0033 -.0023 |
|
Mg2 .9902 .2758 .25 .9 .0351 .0077 .0315 .0008 0 0 |
|
Ni2 .9902 .2758 .25 .1 .0351 .0077 .0315 .0008 0 0 |
|
Si .4257 .0935 .25 .0178 .0074 .0247 .0001 0 0 |
|
O1 .7667 .0925 .25 .0253 .0118 .0350 .0021 0 0 |
|
O2 .2196 .4459 .25 .0371 .0084 .0350 -.0012 0 0 |
|
O3 .2759 .1627 .0323 .0371 .0106 .0335 -.0008 -.0030 .0047 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Liebenbergite |
|
Bostrom D |
|
American Mineralogist 72 (1987) 965-972 |
|
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid |
|
solutions |
|
Sample: XNi2+ = .51 |
|
_database_code_amcsd 0001121 |
|
4.739 10.183 5.943 90 90 90 Pbnm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 0 0 0 .216 .0257 .0103 .0263 -.0001 -.0033 -.0022 |
|
Ni1 0 0 0 .784 .0257 .0103 .0263 -.0001 -.0033 -.0022 |
|
Mg2 .9906 .2752 .25 .764 .0379 .0090 .0334 .0010 0 0 |
|
Ni2 .9906 .2752 .25 .236 .0379 .0090 .0334 .0010 0 0 |
|
Si .4256 .0936 .25 .0189 .0088 .0267 .0005 0 0 |
|
O1 .7669 .0932 .25 .0268 .0105 .0370 -.0002 0 0 |
|
O2 .2188 .4455 .25 .0353 .0082 .0405 .0012 0 0 |
|
O3 .2756 .1627 .0317 .0409 .0122 .0340 .0016 -.0014 .0046 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Liebenbergite |
|
Bostrom D |
|
American Mineralogist 72 (1987) 965-972 |
|
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid |
|
solutions |
|
Sample: XNi2+ = .69 |
|
_database_code_amcsd 0001122 |
|
4.7352 10.1612 5.9317 90 90 90 Pbnm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 0 0 0 .102 .0269 .0106 .0249 -.0003 -.0031 -.0025 |
|
Ni1 0 0 0 .898 .0269 .0106 .0249 -.0003 -.0031 -.0025 |
|
Mg2 .9912 .2744 .25 .518 .0332 .0085 .0308 .0007 0 0 |
|
Ni2 .9912 .2744 .25 .482 .0332 .0085 .0308 .0007 0 0 |
|
Si .4263 .0938 .25 .0220 .0091 .0240 .0003 0 0 |
|
O1 .7675 .0931 .25 .0301 .0119 .0288 .0008 0 0 |
|
O2 .2190 .4452 .25 .0372 .0097 .0353 -.0013 0 0 |
|
O3 .2750 .1627 .0313 .0386 .0124 .0323 .0005 -.0019 .0041 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Liebenbergite |
|
Bostrom D |
|
American Mineralogist 72 (1987) 965-972 |
|
Single-crystal X-ray diffraction studies of synthetic Ni-Mg olivine solid |
|
solutions |
|
Sample: XNi2+ = .75 |
|
_database_code_amcsd 0001123 |
|
4.7331 10.1565 5.9285 90 90 90 Pbnm |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 0 0 0 .066 .0232 .0093 .0278 -.0004 -.0032 -.0023 |
|
Ni1 0 0 0 .934 .0232 .0093 .0278 -.0004 -.0032 -.0023 |
|
Mg2 .9916 .2743 .25 .434 .0287 .0069 .0343 .0006 0 0 |
|
Ni2 .9916 .2743 .25 .566 .0287 .0069 .0343 .0006 0 0 |
|
Si .4265 .0938 .25 .0160 .0075 .0290 .0000 0 0 |
|
O1 .7678 .0934 .25 .0212 .0102 .0386 -.0002 0 0 |
|
O2 .2182 .4452 .25 .0321 .0072 .0425 -.0019 0 0 |
|
O3 .2748 .1629 .0311 .0379 .0108 .0319 .0014 .0015 .0017 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Forsterite |
|
Ottonello G, Della Giusta A, Molin G M |
|
American Mineralogist 74 (1989) 411-421 |
|
Cation ordering in Ni-Mg olivines |
|
sample Ni.30B, synthesized at 902 C, then quenched |
|
Mg1.4Ni.6SiO4 |
|
_database_code_amcsd 0001216 |
|
4.7458 10.1986 5.9563 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Mg1 0 0 0 .468 0.57 |
|
Ni1 0 0 0 .532 0.57 |
|
Mg2 .9900 .2761 .25 .932 0.62 |
|
Ni2 .9900 .2761 .25 .068 0.62 |
|
Si .4257 .0936 .25 0.51 |
|
O1 .7660 .0924 .25 0.59 |
|
O2 .2202 .4461 .25 0.58 |
|
O3 .2763 .1626 .0326 0.62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Forsterite |
|
Ottonello G, Della Giusta A, Molin G M |
|
American Mineralogist 74 (1989) 411-421 |
|
Cation ordering in Ni-Mg olivines |
|
sample Ni.30B, heated at 1150 C, then quenched |
|
Mg1.4Ni.6SiO4 |
|
_database_code_amcsd 0001217 |
|
4.7453 10.1926 5.9559 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Ni1 0 0 0 .495 0.50 |
|
Mg1 0 0 0 .505 0.50 |
|
Ni2 .9908 .2760 .25 .121 0.56 |
|
Mg2 .9908 .2760 .25 .879 0.56 |
|
Si .4257 .0936 .25 0.43 |
|
O1 .7673 .0924 .25 0.55 |
|
O2 .2198 .4463 .25 0.53 |
|
O3 .2767 .1628 .0324 0.56 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Forsterite |
|
Ottonello G, Della Giusta A, Molin G M |
|
American Mineralogist 74 (1989) 411-421 |
|
Cation ordering in Ni-Mg olivines |
|
sample Ni.30B, heated at 1300 C, then quenched |
|
Mg1.4Ni.6SiO4 |
|
_database_code_amcsd 0001218 |
|
4.7452 10.1909 5.9583 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Ni1 0 0 0 .478 0.61 |
|
Mg1 0 0 0 .522 0.61 |
|
Ni2 .9909 .2760 .25 .139 0.67 |
|
Mg2 .9909 .2760 .25 .861 0.67 |
|
Si .4262 .0936 .25 0.54 |
|
O1 .7666 .0924 .25 0.56 |
|
O2 .2199 .4463 .25 0.59 |
|
O3 .2765 .1627 .0322 0.65 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Forsterite |
|
Ottonello G, Della Giusta A, Molin G M |
|
American Mineralogist 74 (1989) 411-421 |
|
Cation ordering in Ni-Mg olivines |
|
sample Ni.30A, synthesized at 902 C, then quenched |
|
Mg1.4Ni.6SiO4 |
|
_database_code_amcsd 0001219 |
|
4.7466 10.2003 5.9556 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Ni1 0 0 0 .533 0.60 |
|
Mg1 0 0 0 .467 0.60 |
|
Ni2 .9904 .2762 .25 .065 0.64 |
|
Mg2 .9904 .2762 .25 .935 0.64 |
|
Si .4258 .0936 .25 0.53 |
|
O1 .7669 .0925 .25 0.62 |
|
O2 .2196 .4464 .25 0.63 |
|
O3 .2765 .1626 .0323 0.66 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Forsterite |
|
Ottonello G, Della Giusta A, Molin G M |
|
American Mineralogist 74 (1989) 411-421 |
|
Cation ordering in Ni-Mg olivines |
|
sample Ni.30A, heated to 800 C, then quenched |
|
Mg1.4Ni.6SiO4 |
|
_database_code_amcsd 0001220 |
|
4.7459 10.1950 5.9559 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Ni1 0 0 0 .508 0.65 |
|
Mg1 0 0 0 .492 0.65 |
|
Ni2 .9906 .2760 .25 .089 0.70 |
|
Mg2 .9906 .2760 .25 .911 0.79 |
|
Si .4261 .0936 .25 0.59 |
|
O1 .7667 .0927 .25 0.66 |
|
O2 .2210 .4462 .25 0.71 |
|
O3 .2760 .1628 .0321 0.73 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Liebenbergite |
|
Ottonello G, Della Giusta A, Molin G M |
|
American Mineralogist 74 (1989) 411-421 |
|
Cation ordering in Ni-Mg olivines |
|
sample Ni.51, synthesized at 890 C, then quenched |
|
MgNiSiO4 |
|
_database_code_amcsd 0001221 |
|
4.7392 10.1939 5.9432 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Ni1 0 0 0 .788 0.51 |
|
Mg1 0 0 0 .212 0.51 |
|
Ni2 .9901 .2751 .25 .246 0.59 |
|
Mg2 .9901 .2751 .25 .754 0.59 |
|
Si .4252 .0936 .25 0.47 |
|
O1 .7670 .0929 .25 0.59 |
|
O2 .2186 .4455 .25 0.54 |
|
O3 .2762 .1627 .0324 0.59 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Liebenbergite |
|
Ottonello G, Della Giusta A, Molin G M |
|
American Mineralogist 74 (1989) 411-421 |
|
Cation ordering in Ni-Mg olivines |
|
sample Ni.51, heated to 1150 C, then quenched |
|
MgNiSiO4 |
|
_database_code_amcsd 0001222 |
|
4.7431 10.1765 5.9401 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Mg1 0 0 0 .29 0.51 |
|
Ni1 0 0 0 .71 0.51 |
|
Ni2 .9913 .2751 .25 .32 0.52 |
|
Mg2 .9913 .2751 .25 .68 0.52 |
|
Si .4265 .0936 .25 0.47 |
|
O1 .7685 .0929 .25 0.51 |
|
O2 .2200 .4462 .25 0.56 |
|
O3 .2745 .1626 .0326 0.63 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Liebenbergite |
|
Ottonello G, Della Giusta A, Molin G M |
|
American Mineralogist 74 (1989) 411-421 |
|
Cation ordering in Ni-Mg olivines |
|
sample Ni.51, heated to 1300 C, then quenched |
|
MgNiSiO4 |
|
_database_code_amcsd 0001223 |
|
4.7398 10.1773 5.9443 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Ni1 0 0 0 .705 0.64 |
|
Mg1 0 0 0 .295 0.64 |
|
Ni2 .9911 .2752 .25 .294 0.67 |
|
Mg2 .9911 .2752 .25 .706 0.67 |
|
Si .4262 .0936 .25 0.57 |
|
O1 .7669 .0926 .25 0.74 |
|
O2 .2194 .4462 .25 0.66 |
|
O3 .2765 .1622 .0320 0.70 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Liebenbergite |
|
Ottonello G, Della Giusta A, Molin G M |
|
American Mineralogist 74 (1989) 411-421 |
|
Cation ordering in Ni-Mg olivines |
|
sample Ni.63, synthesized at 900 C, then quenched |
|
Mg.634Ni1.363SiO4 |
|
_database_code_amcsd 0001224 |
|
4.7393 10.1620 5.9330 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Ni1 0 0 0 .87 0.54 |
|
Mg1 0 0 0 .13 0.54 |
|
Ni2 .9912 .2748 .25 .47 0.57 |
|
Mg2 .9912 .2748 .25 .53 0.57 |
|
Si .4259 .0930 .25 0.51 |
|
O1 .7692 .0930 .25 0.62 |
|
O2 .2174 .4454 .25 0.60 |
|
O3 .2760 .1629 .0319 0.73 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Liebenbergite |
|
Ottonello G, Della Giusta A, Molin G M |
|
American Mineralogist 74 (1989) 411-421 |
|
Cation ordering in Ni-Mg olivines |
|
sample Ni.63, heated to 800 C, then quenched |
|
Mg.634Ni1.363SiO4 |
|
_database_code_amcsd 0001225 |
|
4.7345 10.1623 5.9317 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Ni1 0 0 0 .88 0.34 |
|
Mg1 0 0 0 .12 0.34 |
|
Ni2 .9917 .2744 .25 .50 0.39 |
|
Mg2 .9917 .2744 .25 .50 0.39 |
|
Si .4266 .0937 .25 0.35 |
|
O1 .7677 .0936 .25 0.37 |
|
O2 .2194 .4455 .25 0.41 |
|
O3 .2735 .1626 .0314 0.41 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Liebenbergite |
|
Ottonello G, Della Giusta A, Molin G M |
|
American Mineralogist 74 (1989) 411-421 |
|
Cation ordering in Ni-Mg olivines |
|
sample Ni.63, heated to 1150 C, then quenched |
|
Mg.634Ni1.363SiO4 |
|
_database_code_amcsd 0001226 |
|
4.7370 10.1616 5.9337 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Ni1 0 0 0 .864 0.54 |
|
Mg1 0 0 0 .136 0.54 |
|
Ni2 .9916 .2744 .25 .535 0.56 |
|
Mg2 .9916 .2744 .25 .465 0.56 |
|
Si .4266 .0938 .25 0.50 |
|
O1 .7679 .0931 .25 0.59 |
|
O2 .2178 .4454 .25 0.57 |
|
O3 .2745 .1626 .0312 0.62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Liebenbergite |
|
Ottonello G, Della Giusta A, Molin G M |
|
American Mineralogist 74 (1989) 411-421 |
|
Cation ordering in Ni-Mg olivines |
|
sample Ni.75, synthesized at 910 C, then quenched |
|
Mg.505Ni1.492SiO4 |
|
_database_code_amcsd 0001227 |
|
4.7339 10.1583 5.9303 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Ni1 0 0 0 .95 0.55 |
|
Mg1 0 0 0 .05 0.55 |
|
Ni2 .9919 .2742 .25 .60 0.60 |
|
Mg2 .9919 .2742 .25 .40 0.60 |
|
Si .4266 .0938 .25 0.52 |
|
O1 .7669 .0932 .25 0.58 |
|
O2 .2189 .4451 .25 0.61 |
|
O3 .2744 .1627 .0315 0.58 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Liebenbergite |
|
Ottonello G, Della Giusta A, Molin G M |
|
American Mineralogist 74 (1989) 411-421 |
|
Cation ordering in Ni-Mg olivines |
|
sample Ni.75, heated to 1150 C, then quenched |
|
Mg.505Ni1.492SiO4 |
|
_database_code_amcsd 0001228 |
|
4.7350 10.1526 5.9278 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Ni1 0 0 0 .87 0.43 |
|
Mg1 0 0 0 .13 0.43 |
|
Ni2 .9918 .2745 .25 .59 0.45 |
|
Mg2 .9918 .2745 .25 .41 0.45 |
|
Si .4267 .0938 .25 0.46 |
|
O1 .7684 .0929 .25 0.47 |
|
O2 .2198 .4449 .25 0.57 |
|
O3 .2750 .1630 .0319 0.52 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ferri-leakeite |
|
Hawthorne F C, Oberti R, Ungaretti L, Grice J D |
|
American Mineralogist 77 (1992) 1112-1115 |
|
Leakeite, NaNa2(Mg2Fe2Li)Si8O22(OH)2, a new alkali amphibole from the |
|
Kajlidongri manganese mine, Jhabua district, Madhya Pradesh, India |
|
Locality: Kajlidongri manganese mine, Jhabua district, Madhya Pradesh, India |
|
_database_code_amcsd 0001541 |
|
9.822 17.836 5.286 90 104.37 90 C2/m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
O1 .1100 .0905 .2154 0.0013 0.0006 0.0081 -.0001 0.0005 -.0001 |
|
O2 .1184 .1685 .7284 0.0016 0.0006 0.0083 .0001 0.0006 0.0004 |
|
O3 .1110 0 .6985 0.0023 0.0005 0.0111 -.0004 0.0005 -.0001 |
|
O4 .3623 .2504 .8027 0.0033 0.0004 0.0096 -.0003 0.0017 0 |
|
O5 .3486 .1281 .0850 0.0014 0.0008 0.0068 .0001 0.0006 0.0007 |
|
O6 .3436 .1193 .5854 0.0016 0.0008 0.0059 0 0.0005 -.0006 |
|
O7 .3338 0 .2983 0.0021 0.0003 0.0149 0 0.0007 0 |
|
Si1 .2780 .0862 .2944 0.0013 0.0003 0.0048 0 0.0004 -.0001 |
|
Si2 .2883 .1712 .8018 0.0011 0.0003 0.0050 -.0001 0.0005 0 |
|
Mg1 0 .0848 .5 .72 0.0017 0.0007 0.0061 0 0.0012 0 |
|
Fe1 0 .0848 .5 .28 0.0017 0.0007 0.0061 0 0.0012 0 |
|
Mg2 0 .1796 0 .28 0.0013 0.0003 0.0056 0 0.0006 0 |
|
Fe2 0 .1796 0 .72 0.0013 0.0003 0.0056 0 0.0006 0 |
|
Li3 0 0 0 .83 0.0023 0.0003 0.0065 0 -.0002 0 |
|
Mg3 0 0 0 .17 0.0023 0.0003 0.0065 0 -.0002 0 |
|
Na4 0 .2763 .5 .98 0.0037 0.0007 0.0160 0 0.0045 0 |
|
Ca4 0 .2763 .5 .02 0.0037 0.0007 0.0160 0 0.0045 0 |
|
NaA 0 .5 0 .85 0.0201 0.0009 0.0771 0 0.0384 0 |
|
Nam .0399 .5 .0930 .038 0.0108 0.0016 0.0337 0 0.0149 0 |
|
Na2 0 .4766 0 .038 4.14 |
|
H .1845 0 .7705 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ferro-ferri-fluoro-leakeite |
| |
Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K |
|
American Mineralogist 78 (1993) 733-745 |
|
Li: an important component in igneous alkali amphiboles |
|
Sample: A(3), ferro-fluor-leakeite |
|
Locality: Questa caldera, New Mexico |
|
_database_code_amcsd 0001588 |
|
9.792 17.934 5.313 90 103.87 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1107 .0906 .2088 .65 |
|
O2 .1198 .1715 .7368 .64 |
|
OH3 .1130 0 .7071 .15 1.12 |
|
F .1130 0 .7071 .85 1.12 |
|
O4 .3652 .2497 .8013 .81 |
|
O5 .3507 .1284 .0836 .82 |
|
O6 .3417 .1201 .5805 .81 |
|
O7 .3356 0 .2992 .87 |
|
SiT1 .2797 .0858 .2918 .959 .46 |
|
AlT1 .2797 .0858 .2918 .041 .46 |
|
SiT2 .2903 .1707 .8024 .959 .45 |
|
AlT2 .2903 .1707 .8024 .041 .45 |
|
MgM1 0 .0888 .5 .250 .63 |
|
Fe2+M1 0 .0888 .5 .560 .63 |
|
MnM1 0 .0888 .5 .190 .63 |
|
Fe2+M2 0 .1811 0 .020 .53 |
|
Fe3+M2 0 .1811 0 .910 .53 |
|
TiM2 0 .1811 0 .040 .53 |
|
ZnM2 0 .1811 0 .030 .53 |
|
LiM3 0 0 0 .640 .67 |
|
MgM3 0 0 0 .040 .67 |
|
MnM3 0 0 0 .320 .67 |
|
NaM4 0 .2776 .5 1.11 |
|
KA 0 .5 0 .064 4.86 |
|
NaA 0 .5 0 .180 4.86 |
|
KAm .0456 .5 .0973 .083 3.52 |
|
NaAm .0456 .5 .0973 .230 3.52 |
|
KA2 0 .4693 0 .004 3.69 |
|
NaA2 0 .4693 0 .011 3.69 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ferro-ferri-fluoro-leakeite |
| |
Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K |
|
American Mineralogist 78 (1993) 733-745 |
|
Li: an important component in igneous alkali amphiboles |
|
Sample: A(4), ferro-fluor-leakeite |
|
Locality: Questa caldera, New Mexico |
|
_database_code_amcsd 0001589 |
|
9.796 17.934 5.312 90 103.89 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1107 .0904 .2093 .61 |
|
O2 .1197 .1714 .7363 .61 |
|
OH3 .1123 0 .7067 .20 1.03 |
|
F .1123 0 .7067 .80 1.03 |
|
O4 .3651 .2498 .8012 .78 |
|
O5 .3505 .1284 .0834 .77 |
|
O6 .3420 .1202 .5806 .75 |
|
O7 .3358 0 .2987 .84 |
|
SiT1 .2797 .0858 .2920 .975 .42 |
|
AlT1 .2797 .0858 .2920 .025 .42 |
|
SiT2 .2902 .1707 .8025 .975 .41 |
|
AlT2 .2902 .1707 .8025 .025 .41 |
|
MgM1 0 .0888 .5 .300 .59 |
|
Fe2+M1 0 .0888 .5 .530 .59 |
|
MnM1 0 .0888 .5 .170 .59 |
|
Fe2+M2 0 .1810 0 .030 .48 |
|
Fe3+M2 0 .1810 0 .900 .48 |
|
TiM2 0 .1810 0 .035 .48 |
|
ZnM2 0 .1810 0 .035 .48 |
|
LiM3 0 0 0 .640 .66 |
|
MgM3 0 0 0 .040 .66 |
|
MnM3 0 0 0 .320 .66 |
|
NaM4 0 .2775 .5 1.17 |
|
KA 0 .5 0 .065 4.69 |
|
NaA 0 .5 0 .178 4.69 |
|
KAm .0447 .5 .0963 .082 3.25 |
|
NaAm .0447 .5 .0963 .224 3.25 |
|
KA2 0 .4661 0 .005 2.06 |
|
NaA2 0 .4661 0 .013 2.06 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ferro-ferri-fluoro-leakeite |
| |
Hawthorne F C, Ungaretti L, Oberti R, Bottazzi P, Czamanske G K |
|
American Mineralogist 78 (1993) 733-745 |
|
Li: an important component in igneous alkali amphiboles |
|
Sample: A(5), ferro-fluor-leakeite |
|
Locality: Questa caldera, New Mexico |
|
_database_code_amcsd 0001590 |
|
9.792 17.935 5.314 90 103.85 90 C2/m |
|
atom x y z occ Biso |
|
O1 .1108 .0907 .2088 .59 |
|
O2 .1200 .1718 .7373 .62 |
|
OH3 .1130 0 .7075 .20 1.08 |
|
F .1130 0 .7075 .80 1.08 |
|
O4 .3654 .2496 .8011 .78 |
|
O5 .3506 .1284 .0831 .79 |
|
O6 .3416 .1202 .5804 .74 |
|
O7 .3352 0 .2987 .85 |
|
SiT1 .2796 .0859 .2916 .966 .44 |
|
AlT1 .2796 .0859 .2916 .034 .44 |
|
SiT2 .2904 .1708 .8026 .966 .42 |
|
AlT2 .2904 .1708 .8026 .034 .42 |
|
MgM1 0 .0889 .5 .210 .61 |
|
Fe2+M1 0 .0889 .5 .590 .61 |
|
MnM1 0 .0889 .5 .200 .61 |
|
Fe3+M2 0 .1811 0 .930 .50 |
|
TiM2 0 .1811 0 .035 .50 |
|
ZnM2 0 .1811 0 .035 .50 |
|
LiM3 0 0 0 .630 .64 |
|
MgM3 0 0 0 .040 .64 |
|
MnM3 0 0 0 .330 .64 |
|
NaM4 0 .2776 .5 1.13 |
|
KA 0 .5 0 .060 5.58 |
|
NaA 0 .5 0 .165 5.58 |
|
KAm .0449 .5 .0989 .082 3.54 |
|
NaAm .0449 .5 .0989 .224 3.54 |
|
KA2 0 .4734 0 .006 2.17 |
|
NaA2 0 .4734 0 .017 2.17 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ferri-leakeite |
|
Hawthorne F C, Ungaretti L, Oberti R, Cannillo E |
|
American Mineralogist 79 (1994) 443-451 |
|
The mechanism of Li incorporation in amphiboles |
|
Sample: A1 |
|
Locality: Kajlidongri, Madhya Pradesh, India |
|
_database_code_amcsd 0001655 |
|
9.748 17.842 5.287 90 104.12 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2811 .0857 .2929 .41 |
|
Si2 .2889 .1710 .7998 .42 |
|
Mg1 0 .0823 .5 .57 .72 |
|
Al1 0 .0823 .5 .025 .72 |
|
Ti1 0 .0823 .5 .205 .72 |
|
Fe1 0 .0823 .5 .13 .72 |
|
Mn1 0 .0823 .5 .07 .72 |
|
Mg2 0 .1796 0 .415 .48 |
|
Al2 0 .1796 0 .045 .48 |
|
Fe2 0 .1796 0 .35 .48 |
|
Mn2 0 .1796 0 .19 .48 |
|
Li3 0 0 0 .67 .69 |
|
Mg3 0 0 0 .33 .69 |
|
Na4 0 .2751 .5 .95 1.17 |
|
Ca4 0 .2751 .5 .05 1.17 |
|
NaA 0 .5 0 .16 6.5 |
|
KA 0 .5 0 .03 6.5 |
|
NaAm .0508 .5 .1091 .16 2.87 |
|
KAm .0508 .5 .1091 .03 2.87 |
|
NaA2 0 .4680 0 .16 4.68 |
|
KA2 0 .4680 0 .03 4.68 |
|
H .1867 0 .7577 .485 2.65 |
|
O1 .1115 .0886 .2159 .63 |
|
O2 .1178 .1668 .7270 .60 |
|
O3 .1104 0 .6965 .41 .76 |
|
Oh3 .1104 0 .6965 .485 .76 |
|
F3 .1104 0 .6965 .105 .76 |
|
O4 .3605 .2508 .8018 .80 |
|
O5 .3500 .1280 .0816 .74 |
|
O6 .3456 .1198 .5823 .73 |
|
O7 .3394 0 .2979 .84 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ferri-leakeite |
|
Hawthorne F C, Ungaretti L, Oberti R, Cannillo E |
|
American Mineralogist 79 (1994) 443-451 |
|
The mechanism of Li incorporation in amphiboles |
|
Sample: A2 |
|
Locality: Kajlidongri, Madhya Pradesh, India |
|
_database_code_amcsd 0001656 |
|
9.790 17.848 5.287 90 104.10 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2785 .0862 .2934 .99 .43 |
|
Al1 .2785 .0862 .2934 .01 .43 |
|
Si2 .2889 .1712 .8023 .99 .43 |
|
Al2 .2889 .1712 .8023 .01 .43 |
|
Mg1 0 .0865 .5 .83 .54 |
|
Al1 0 .0865 .5 .04 .54 |
|
Fe1 0 .0865 .5 .10 .54 |
|
Mn1 0 .0865 .5 .03 .54 |
|
Mg2 0 .1796 0 .16 .48 |
|
Al2 0 .1796 0 .05 .48 |
|
Fe2 0 .1796 0 .61 .48 |
|
Mn2 0 .1796 0 .18 .48 |
|
Li3 0 0 0 .74 .79 |
|
Mg3 0 0 0 .26 .79 |
|
Na4 0 .2764 .5 .98 1.14 |
|
Ca4 0 .2764 .5 .02 1.14 |
|
NaA 0 .5 0 .15 3.01 |
|
KA 0 .5 0 .04 3.01 |
|
NaAm .0480 .5 .1028 .15 2.28 |
|
KAm .0480 .5 .1028 .04 2.28 |
|
NaA2 0 .4744 0 .15 4.87 |
|
KA2 0 .4744 0 .04 4.87 |
|
H .1826 0 .7335 .64 2.55 |
|
O1 .1102 .0905 .2146 .65 |
|
O2 .1186 .1694 .7315 .66 |
|
O3 .1115 0 .7002 .11 .96 |
|
Oh3 .1115 0 .7002 .64 .96 |
|
F3 .1115 0 .7002 .24 .96 |
|
O4 .3632 .2504 .8018 .81 |
|
O5 .3497 .1285 .0851 .77 |
|
O6 .3435 .1192 .5845 .73 |
|
O7 .3348 0 .2963 .93 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Ferri-leakeite |
|
Hawthorne F C, Ungaretti L, Oberti R, Cannillo E |
|
American Mineralogist 79 (1994) 443-451 |
|
The mechanism of Li incorporation in amphiboles |
|
Sample: A3 |
|
Note: Site occupancies are set to be the same as ones in sample A2 |
|
Locality: Kajlidongri, Madhya Pradesh, India |
|
_database_code_amcsd 0001657 |
|
9.822 17.836 5.286 90 104.37 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2780 .0862 .2944 .99 .46 |
|
Al1 .2780 .0862 .2944 .01 .46 |
|
Si2 .2883 .1712 .8018 .99 .45 |
|
Al2 .2883 .1712 .8018 .01 .45 |
|
Mg1 0 .0848 .5 .83 .70 |
|
Al1 0 .0848 .5 .04 .70 |
|
Fe1 0 .0848 .5 .10 .70 |
|
Mn1 0 .0848 .5 .03 .70 |
|
Mg2 0 .1796 0 .16 .50 |
|
Al2 0 .1796 0 .05 .50 |
|
Fe2 0 .1796 0 .61 .50 |
|
Mn2 0 .1796 0 .18 .50 |
|
Li3 0 0 0 .74 .69 |
|
Mg3 0 0 0 .26 .69 |
|
Na4 0 .2763 .5 .98 1.21 |
|
Ca4 0 .2763 .5 .02 1.21 |
|
NaA 0 .5 0 .15 4.51 |
|
KA 0 .5 0 .04 4.51 |
|
NaAm .0399 .5 .0930 .15 2.81 |
|
KAm .0399 .5 .0930 .04 2.81 |
|
NaA2 0 .4766 0 .15 4.14 |
|
KA2 0 .4766 0 .04 4.14 |
|
H .1845 0 .7705 .64 3.11 |
|
O1 .1100 .0905 .2154 .71 |
|
O2 .1184 .1685 .7284 .76 |
|
O3 .1110 0 .6975 .11 .91 |
|
Oh3 .1110 0 .6975 .64 .91 |
|
F3 .1110 0 .6975 .24 .91 |
|
O4 .3623 .2504 .8027 .89 |
|
O5 .3486 .1281 .0850 .74 |
|
O6 .3436 .1193 .5854 .74 |
|
O7 .3338 0 .2983 .94 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Majorite |
|
Hazen R M, Downs R T, Finger L W, Conrad P G, Gasparik T |
|
American Mineralogist 79 (1994) 581-584 |
|
Crystal chemistry of Ca-bearing majorite |
|
Locality: synthetic |
|
_database_code_amcsd 0001663 |
|
11.5816 11.5816 11.5288 90 90 90 *I4_1/a |
|
.5 .25 .125 |
|
atom x y z occ Biso |
|
MgD1 .1265 .0137 .2576 .917 .83 |
|
CaD1 .1265 .0137 .2576 .083 .83 |
|
MgD2 0 .25 .6258 .677 2.20 |
|
CaD2 0 .25 .6258 .323 2.20 |
|
MgO1 0 0 .5 .44 |
|
SiO2 0 0 0 .44 |
|
SiT1 0 .25 .375 .59 |
|
SiT2 0 .25 .875 .59 |
|
SiT3 .1259 .0072 .7575 .59 |
|
O1 .0251 .0524 .6666 .61 |
|
O2 .0420 -.0462 .8635 .61 |
|
O3 .2212 .1100 .7934 .61 |
|
O4 .2172 -.0839 .7026 .61 |
|
O5 -.0530 .1585 .4697 .61 |
|
O6 -.1024 .2141 .7842 .61 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Augite |
|
Clark J, Appleman D, Papike J |
| |
Mineralogical Society of America Special Paper 2 (1969) 31-50 |
|
Crystal-chemical characterization of clinopyroxenes based on eight new |
|
structure refinements |
|
Locality: Kakanui, New Zealand |
|
_cod_database_code 1000035 |
|
_database_code_amcsd 0000001 |
|
9.699 8.844 5.272 90 106.97 90 C2/c |
|
atom x y z occ |
|
Na1 0 .2952 .25 .09 |
|
Ca1 0 .2952 .25 .616 |
|
Mg1 0 .9063 .25 .715 |
|
Mg2 0 .2952 .25 .187 |
|
Fe1 0 .2952 .25 .107 |
|
Fe2 0 .9063 .25 .103 |
|
Al1 0 .9063 .25 .182 |
|
Al2 .2896 .0924 .2353 .08 |
|
Ti1 .2896 .0924 .2353 .01 |
|
Si1 .2896 .0924 .2353 .91 |
|
O1 .1150 .0865 .1402 |
|
O2 .3647 .2530 .3260 |
|
O3 .3256 .0185 .0013 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Grunerite |
|
Finger L W |
| |
Mineralogical Society of America Special Paper 2 (1969) 95-100 |
|
The crystal structure and cation distribution of a grunerite |
|
Locality: Wabush iron formation, Labrador, Canada |
|
_database_code_amcsd 0000002 |
|
9.5642 18.393 5.3388 90 101.892 90 C2/m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Fe1 0 .08781 .5 .848 .51 .0012 .00055 .0036 0 .0008 0 |
|
Mg1 0 .08781 .5 .152 .51 .0012 .00055 .0036 0 .0008 0 |
|
Fe2 0 .17936 0 .773 .51 .0012 .00048 .0045 0 .0008 0 |
|
Mg2 0 .17936 0 .227 .51 .0012 .00048 .0045 0 .0008 0 |
|
Fe3 0 0 0 .888 .56 .0014 .00050 .0045 0 .0003 0 |
|
Mg3 0 0 0 .112 .56 .0014 .00050 .0045 0 .0003 0 |
|
Fe4 0 .25741 .5 .985 .92 .0019 .00096 .0080 0 .0017 0 |
|
Mg4 0 .25741 .5 .015 .92 .0019 .00096 .0080 0 .0017 0 |
|
Si1 .2867 .0836 .2707 .44 .0009 .00041 .0040 -.00003 .0002 .0000 |
|
Si2 .2993 .1667 .7780 .49 .0010 .00038 .0054 -.00019 .0003 .0000 |
|
O1 .1120 .0882 .2044 .67 .0013 .0006 .0065 0 .0007 .0003 |
|
O2 .1253 .1735 .7142 .59 .0009 .0006 .0068 -.0001 .0011 -.0003 |
|
OH3 .1147 0 .7035 .75 1.09 .0042 .0007 .0092 0 .0023 0 |
|
F3 .1147 0 .7035 .25 1.09 .0042 .0007 .0092 0 .0023 0 |
|
O4 .3839 .2416 .7689 .58 .0020 .0004 .0041 -.0001 -.0002 .0002 |
|
O5 .3483 .1275 .0519 .77 .0008 .0008 .0090 -.0003 .0009 .0015 |
|
O6 .3478 .1182 .5530 .86 .0009 .0012 .0055 .0004 -.0001 -.0009 |
|
O7 .3376 0 .2700 .74 .0019 .0000 .0146 0 .0021 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Vermiculite |
|
Gruner J W |
|
American Mineralogist 19 (1934) 557-575 |
|
The structures of vermiculites and their collapse by dehydration |
|
Locality: Structure results from data of many samples |
|
_database_code_amcsd 0000012 |
|
5.31 9.20 28.46 90 97.14 90 Cc |
|
atom x y z |
|
Mg1 0 0 0 |
|
Mg2 0 1/3 0 |
|
Mg3 0 2/3 0 |
|
Si1 .397 0 .094 |
|
Si2 .897 1/6 .094 |
|
Si3 .603 0 .406 |
|
Si4 .103 1/6 .406 |
|
OH1 .858 5/6 .039 |
|
OH2 .142 5/6 .461 |
|
O1 .858 .5 .039 |
|
O2 .858 1/6 .039 |
|
O3 .161 1/12 .115 |
|
O4 .661 1/12 .115 |
|
O5 .911 1/3 .115 |
|
O6 .839 1/12 .385 |
|
O7 .339 1/12 .385 |
|
O8 .089 1/3 .385 |
|
O9 .142 .5 .461 |
|
O10 .142 1/6 .461 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Vermiculite |
|
Hendricks S B, Jefferson M E |
|
American Mineralogist 23 (1938) 851-862 |
|
Crystal structure of vermiculites and mixed vermiculite-chlorites |
|
_database_code_amcsd 0000019 |
|
5.33 9.18 28.85 90 93.25 90 Cc |
|
atom x y z |
|
Mg1 0 0 0 |
|
Mg2 0 1/3 0 |
|
Mg3 0 2/3 0 |
|
OH1 .180 .5 .040 |
|
OH2 -.180 5/6 -.040 |
|
O1 .180 5/6 .040 |
|
O2 -.180 .5 -.040 |
|
O3 .180 1/6 .040 |
|
O4 -.180 1/6 -.040 |
|
O5 -.048 .75 .115 |
|
O6 .048 .5833 -.115 |
|
O7 .452 .75 .115 |
|
O8 -.452 .5833 -.115 |
|
O9 .202 0 .115 |
|
O10 -.202 1/3 -.115 |
|
Si1 .196 5/6 .095 |
|
Si2 -.196 .5 -.095 |
|
Si3 -.304 2/3 .095 |
|
Si4 .304 2/3 -.095 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phlogopite |
|
Hendricks S B, Jefferson M E |
|
American Mineralogist 24 (1939) 729-771 |
|
Polymorphism of the micas with optical measurements |
|
Note: Biotite group |
|
_database_code_amcsd 0000024 |
|
5.32 9.21 10.16 90 100.03 90 Cm |
|
atom x y z occ |
|
K .45 .50 .84 |
|
Mg1 .44 .33 .34 |
|
Mg2 .44 .00 .34 |
|
Si1 .02 .33 .06 .75 |
|
Si2 .37 .17 .62 .75 |
|
Al1 .02 .33 .06 .25 |
|
Al2 .37 .17 .62 .25 |
|
O1 .25 .25 .00 |
|
O2 .08 .33 .22 |
|
O3 .32 .17 .46 |
|
O4 .14 .25 .68 |
|
O5 .00 .50 .00 |
|
O6 .39 .00 .68 |
|
OH1 .08 .00 .22 .50 |
|
OH2 .32 .50 .46 .50 |
|
F1 .08 .00 .22 .50 |
|
F2 .32 .50 .46 .50 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phlogopite |
|
Hendricks S B, Jefferson M E |
|
American Mineralogist 24 (1939) 729-771 |
|
Polymorphism of the micas with optical measurements |
|
Note: data is reproduced from Jackson and West (1930) |
|
_database_code_amcsd 0000025 |
|
5.32 9.21 20.08 90 95 90 C2/c |
|
atom x y z occ |
|
K 0 .083 .25 |
|
Mg1 .25 .083 0 |
|
Mg2 .75 .25 0 |
|
Si1 -.033 -.250 .135 .75 |
|
Si2 -.033 .417 .135 .75 |
|
Al1 -.033 -.250 .135 .25 |
|
Al2 -.033 .417 .135 .25 |
|
O1 .228 .333 .164 |
|
O2 .228 -.167 .164 |
|
O3 .480 .083 .164 |
|
O4 -.062 -.167 .055 |
|
O5 -.062 .417 .055 |
|
OH -.062 .083 .058 .50 |
|
F -.062 .083 .058 .50 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phlogopite |
|
Hendricks S B, Jefferson M E |
|
American Mineralogist 24 (1939) 729-771 |
|
Polymorphism of the micas with optical measurements |
|
Note: Biotite group |
|
_database_code_amcsd 0000026 |
|
5.3 5.3 30.0 90 90 120 P3_112 |
|
atom x y z occ |
|
K 1/9 .0556 0 |
|
Mg1 1/9 2/9 1/6 |
|
Mg3 -2/9 -4/9 1/6 |
|
Mg3 4/9 8/9 1/6 |
|
Si1 -.22 .22 .078 .75 |
|
Si2 .44 -.44 .078 .75 |
|
Al1 -.22 .22 .078 .25 |
|
Al2 .44 -.44 .078 .25 |
|
O1 .11 .39 .06 |
|
O2 -.39 -.11 .06 |
|
O3 -.39 .39 .06 |
|
O4 -.22 .22 .13 |
|
O5 .44 -.44 .13 |
|
OH .11 -.11 .13 .50 |
|
F .11 -.11 .13 .50 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Lepidolite |
|
Hendricks S B, Jefferson M E |
|
American Mineralogist 24 (1939) 729-771 |
|
Polymorphism of the micas with optical measurements |
|
_database_code_amcsd 0000027 |
|
9.2 5.3 60.0 90 90. 90 Cc |
|
atom x y z occ |
|
K1 0 .3333 .0825 |
|
K2 .3333 .6667 .2492 |
|
K3 .1667 .8333 .4158 |
|
Mg1 0 0 0 |
|
Mg2 0 0 .1667 |
|
Mg3 0 0 .3333 |
|
Mg4 .1667 .5 0 |
|
Mg5 .1667 .5 .1667 |
|
Mg6 .1667 .5 .3333 |
|
Mg7 .3333 0 0 |
|
Mg8 .3333 0 .1667 |
|
Mg9 .3333 0 .3333 |
|
Si1 .3333 .3333 .0440 .75 |
|
Si2 0 .6667 .2107 .75 |
|
Si3 0 .3333 .3773 .75 |
|
Si4 .1667 .8333 .0440 .75 |
|
Si5 .1667 .1667 .2107 .75 |
|
Si6 .3333 .3333 .3773 .75 |
|
Si7 0 .6667 -.044 .75 |
|
Si8 .1667 .8333 .1227 .75 |
|
Si9 0 .6667 .2893 .75 |
|
Si10 .3333 .6667 -.044 .75 |
|
Si11 .3333 .3333 .1227 .75 |
|
Si12 .1667 .1667 .2893 .75 |
|
Al1 .3333 .3333 .0440 .25 |
|
Al2 0 .6667 .2107 .25 |
|
Al3 0 .3333 .3773 .25 |
|
Al4 .1667 .8333 .0440 .25 |
|
Al5 .1667 .1667 .2107 .25 |
|
Al6 .3333 .3333 .3773 .25 |
|
Al7 0 .6667 -.044 .25 |
|
Al8 .1667 .8333 .1227 .25 |
|
Al9 0 .6667 .2893 .25 |
|
Al10 .3333 .6667 -.044 .25 |
|
Al11 .3333 .3333 .1227 .25 |
|
Al12 .1667 .1667 .2893 .25 |
|
O1 .25 .0833 .0530 |
|
O2 .0833 .4167 .2197 |
|
O3 .1667 .3333 .3863 |
|
O4 .25 .5833 .0530 |
|
O5 .3333 .1667 .2197 |
|
O6 .4167 .0833 .3863 |
|
O7 .5 .3333 .0530 |
|
O8 .0833 .5833 .2197 |
|
O9 .4167 .5833 .3863 |
|
O10 .3333 .3333 .0170 |
|
O11 0 .6667 .1837 |
|
O12 0 .3333 .3503 |
|
O13 .1667 .8333 .0170 |
|
O14 .1667 .1667 .1837 |
|
O15 .3333 .3333 .3503 |
|
O16 0 .6667 -.017 |
|
O17 .1667 .8333 .1497 |
|
O18 0 .6667 .3163 |
|
O19 .3333 .6667 -.017 |
|
O20 .3333 .3333 .1497 |
|
O21 .1667 .1667 .3163 |
|
O22 .1667 .6667 -.053 |
|
O23 0 .8333 .1137 |
|
O24 .0833 .4167 .2803 |
|
O25 .4167 .4167 -.053 |
|
O26 .25 .0833 .1137 |
|
O27 .0833 .5833 .2803 |
|
O28 .4167 .5833 -.053 |
|
O29 .25 .5833 .1137 |
|
O30 .3333 .1667 .2803 |
|
OH1 0 .3333 .0170 .50 |
|
OH2 .3333 .6667 .1837 .50 |
|
OH3 .1667 .8333 .3503 .50 |
|
OH4 .1667 .1667 -.017 .50 |
|
OH5 0 .3333 .1497 .50 |
|
OH6 .3333 .6667 .3163 .50 |
|
F1 0 .3333 .0170 .50 |
|
F2 .3333 .6667 .1837 .50 |
|
F3 .1667 .8333 .3503 .50 |
|
F4 .1667 .1667 -.017 .50 |
|
F5 0 .3333 .1497 .50 |
|
F6 .3333 .6667 .3163 .50 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Biotite |
|
Hendricks S B, Jefferson M E |
|
American Mineralogist 24 (1939) 729-771 |
|
Polymorphism of the micas with optical measurements |
|
_database_code_amcsd 0000028 |
|
5.3 5.3 60.0 90 90 120 P-1 |
|
atom x y z occ |
|
K1 0 .1667 .0825 |
|
K2 .3333 .1667 .2492 |
|
K3 .3333 .5 .4158 |
|
Mg1 .3333 .1667 0 |
|
Mg2 0 .5 0 |
|
Mg3 .3333 .1667 .5 |
|
Mg4 0 .5 .5 |
|
Mg5 0 .8333 .1667 |
|
Mg6 .6667 .1667 .1667 |
|
Mg7 .3333 .5 .1837 |
|
Mg8 0 .1667 .5 |
|
Mg9 .3333 .8333 .3333 |
|
Mg10 .6667 .5 .3503 |
|
Si1 .3333 .8333 .0440 .75 |
|
Si2 .6667 .5 .0440 .75 |
|
Si3 0 .1667 .5440 .75 |
|
Si4 .3333 .8333 .5440 .75 |
|
Si5 .6667 .8333 .2107 .75 |
|
Si6 0 .5 .2107 .75 |
|
Si7 .6667 .5 .1227 .75 |
|
Si8 .3333 .8333 .1227 .75 |
|
Si9 0 .8333 .3773 .75 |
|
Si10 .6667 .1667 .3773 .75 |
|
Si11 0 .5 .2893 .75 |
|
Si12 .6667 .8333 .2893 .75 |
|
Al1 .3333 .8333 .0440 .25 |
|
Al2 .6667 .5 .0440 .25 |
|
Al3 0 .1667 .5440 .25 |
|
Al4 .3333 .8333 .5440 .25 |
|
Al5 .6667 .8333 .2107 .25 |
|
Al6 0 .5 .2107 .25 |
|
Al7 .6667 .5 .1227 .25 |
|
Al8 .3333 .8333 .1227 .25 |
|
Al9 0 .8333 .3773 .25 |
|
Al10 .6667 .1667 .3773 .25 |
|
Al11 0 .5 .2893 .25 |
|
Al12 .6667 .8333 .2893 .25 |
|
O1 .3333 .8333 .0170 |
|
O2 .6667 .5 .0170 |
|
O3 0 .6667 .0530 |
|
O4 .5 .6667 .0530 |
|
O5 .5 .1667 .0530 |
|
O6 0 .1667 .5170 |
|
O7 .3333 .8333 .5170 |
|
O8 .1667 0 .5530 |
|
O9 .6667 0 .5530 |
|
O10 .1667 .5 .5530 |
|
O11 .6667 .8333 .1837 |
|
O12 0 .5 .1837 |
|
O13 .6667 .5 .1497 |
|
O14 .3333 .8333 .1497 |
|
O15 .8333 .6667 .2197 |
|
O16 .8333 .1667 .2197 |
|
O17 .3333 .6667 .2197 |
|
O18 0 .6667 .1137 |
|
O19 .5 .6667 .1137 |
|
O20 .5 .1667 .1137 |
|
O21 0 .8333 .3503 |
|
O22 .6667 .1667 .3503 |
|
O23 0 .5 .3163 |
|
O24 .6667 .8333 .3163 |
|
O25 .8333 0 .3863 |
|
O26 .3333 0 .3863 |
|
O27 .8333 .5 .3863 |
|
O28 .8333 .1667 .2803 |
|
O29 .8333 .6667 .2803 |
|
O30 .3333 .6667 .2803 |
|
OH1 0 .1667 .0170 .50 |
|
OH2 .6667 .5 .5170 .50 |
|
OH3 .3333 .1667 .1837 .50 |
|
OH4 0 .1667 .1497 .50 |
|
OH5 .3333 .5 .3503 .50 |
|
OH6 .3333 .1667 .3163 .50 |
|
F1 0 .1667 .0170 .50 |
|
F2 .6667 .5 .5170 .50 |
|
F3 .3333 .1667 .1837 .50 |
|
F4 0 .1667 .1497 .50 |
|
F5 .3333 .5 .3503 .50 |
|
F6 .3333 .1667 .3163 .50 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Dravite |
|
Hamburger G E, Buerger M J |
|
American Mineralogist 33 (1948) 532-540 |
|
The structure of tourmaline |
|
Locality: de Kalb, New York, USA |
|
_database_code_amcsd 0000045 |
|
15.951 15.951 7.24 90 90 120 R3m |
|
atom x y z |
|
NaX 0 0 .770 |
|
MgY .133 .0665 .255 |
|
AlZ .050 .3670 .825 |
|
SiT .192 .1920 .624 |
|
B .117 .2340 0 |
|
OH1 0 0 .403 |
|
O2 .058 .1160 0 |
|
OH3 .233 .1165 .032 |
|
O4 .142 .0710 .624 |
|
O5 .102 .2040 .742 |
|
O6 .200 .2000 .403 |
|
O7 .279 .2460 .758 |
|
O8 .058 .2920 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Melilite |
| |
Smith J V |
|
American Mineralogist 38 (1953) 643-661 |
|
Reexamination of the crystal structure of melilite |
|
_database_code_amcsd 0000058 |
|
7.789 7.789 5.018 90 90 90 P-42_1m |
|
atom x y z occ |
|
Ca .3355 .1645 .5073 .85 |
|
Na .3355 .1645 .5073 .10 |
|
K .3355 .1645 .5073 .05 |
|
Si .1396 .3604 .9412 |
|
Mg 0 0 0 .50 |
|
Al 0 0 0 .40 |
|
O1 .5 0 .1804 |
|
O2 .1450 .3550 .2583 |
|
O3 .0820 .1820 .7909 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Vermiculite |
|
Mathieson A M, Walker G F |
|
American Mineralogist 39 (1954) 231-255 |
|
Crystal structure of magnesium-vermiculite |
|
_database_code_amcsd 0000063 |
|
5.33 9.18 28.90 90 97 90 Cc |
|
atom x y z occ |
|
Mg1 0 0 0 .393 |
|
Fe1 0 0 0 .080 |
|
Al1 0 0 0 .027 |
|
Mg2 0 .3330 0 .393 |
|
Fe2 0 .3330 0 .080 |
|
Al2 0 .3330 0 .027 |
|
Mg3 0 .6670 0 .393 |
|
Fe3 0 .6670 0 .080 |
|
Al3 0 .6670 0 .027 |
|
Si1 .397 0 .096 .680 |
|
Al4 .397 0 .096 .320 |
|
Si2 .397 .3330 .097 .680 |
|
Al5 .397 .3330 .097 .320 |
|
Mg4 .5 0 .25 .053 |
|
Mg5 .5 .3330 .25 .053 |
|
Mg6 .5 .6670 .25 .053 |
|
O1 .358 0 .037 |
|
O2 .358 .3330 .037 |
|
O3 .358 .6670 .037 |
|
O4 .147 .4040 .114 |
|
O5 .147 .9290 .114 |
|
O6 .434 .1670 .114 |
|
OH7 .160 -.019 .213 |
|
OH8 .160 .3520 .213 |
|
OH9 .105 .6670 .213 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phlogopite |
|
Pabst A |
|
American Mineralogist 40 (1955) 967-974 |
|
Redescription of the single layer structure of the micas |
|
_database_code_amcsd 0000077 |
|
5.32 9.21 10.16 90 100.03 90 C2/m |
|
atom x y z occ |
|
K 0 .5 0 |
|
Mg1 0 0 .5 |
|
Mg2 0 .33 .5 |
|
Si .575 .33 .22 .75 |
|
Al .575 .33 .22 .25 |
|
O1 .055 0 .16 |
|
O2 .805 .25 .16 |
|
O3 .630 .33 .38 |
|
OH .630 0 .38 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Osumilite |
|
Miyashiro A |
|
American Mineralogist 41 (1956) 104-116 |
|
Osumilite, a new silicate mineral, and its crystal structure |
|
_database_code_amcsd 0000078 |
|
10.17 10.17 14.34 90 90 120 P6/mcc |
|
atom x y z occ |
|
K 0 0 .25 .32 |
|
Na 0 0 .25 .35 |
|
Ca 0 0 .25 .12 |
|
Mg 1/3 2/3 .25 .74 |
|
Fe1 1/3 2/3 .25 .26 |
|
Al .5 0 .25 .65 |
|
Fe2 .5 0 .25 .35 |
|
Si .100 .350 .11 .75 |
|
Al .100 .350 .11 .25 |
|
O1 .130 .420 0 |
|
O2 .210 .290 .12 |
|
O3 .130 .470 .17 |
|
H2O 0 0 0 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Perrierite-(Ce) |
|
Gottardi G |
|
American Mineralogist 45 (1960) 1-14 |
|
The crystal structure of perrierite |
|
_database_code_amcsd 0000090 |
|
13.61 5.62 11.63 90 113.47 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .4085 0 .734 .96 .65 |
|
Al1 .4085 0 .734 .04 .65 |
|
Si2 .1615 0 .546 .96 .65 |
|
Al2 .1615 0 .546 .04 .65 |
|
Ti 0 .25 0 .65 |
|
Ti .27 0 0 .74 .65 |
|
Fe .27 0 0 .12 .65 |
|
Mg .27 0 0 .12 .65 |
|
Fe 0 .5 .5 .63 .65 |
|
Ca 0 .5 .5 .34 .65 |
|
Ce1 .238 0 .266 .578 .65 |
|
La1 .238 0 .266 .125 .65 |
|
Y1 .238 0 .266 .040 .65 |
|
Th1 .238 0 .266 .048 .65 |
|
Ca1 .238 0 .266 .133 .65 |
|
Na1 .238 0 .266 .078 .65 |
|
Ce2 .047 0 .742 .578 .65 |
|
La2 .047 0 .742 .125 .65 |
|
Y2 .047 0 .742 .040 .65 |
|
Th2 .047 0 .742 .048 .65 |
|
Ca2 .047 0 .742 .133 .65 |
|
Na2 .047 0 .742 .078 .65 |
|
O1 .085 .25 .194 .65 |
|
O2 .291 .25 .123 .65 |
|
O3 .3745 .25 .400 .65 |
|
O4 .103 0 .997 .65 |
|
O5 .397 0 .003 .65 |
|
O6 .492 0 .660 .65 |
|
O7 .286 0 .657 .65 |
|
O8 .1385 0 .399 .65 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Phlogopite |
|
Steinfink H |
|
American Mineralogist 47 (1962) 886-889 |
|
Crystal structure of a trioctahedral mica: Phlogopite |
|
_database_code_amcsd 0000114 |
|
5.36 9.29 10.41 90 100.0 90 C2/m |
|
atom x y z occ Biso |
|
K 0 0 0 .90 2.22 |
|
Mn 0 0 0 .10 2.22 |
|
Mg1 0 .5 .5 1.39 |
|
Mg2 0 .8333 .5 1.39 |
|
Si .5766 .1679 .2261 .75 2.42 |
|
Fe .5766 .1679 .2261 .25 2.73 |
|
O1 .8338 .2229 .1692 2.79 |
|
O2 .6273 .1682 .3900 2.79 |
|
O3 .4963 0 .1700 2.79 |
|
OH4 .1354 0 .3955 2.79 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Clinochlore |
|
Brown B E, Bailey S W |
|
American Mineralogist 48 (1963) 42-61 |
|
Chlorite polytypism: II. Crystal structure of a one-layer Cr-chlorite |
|
Note: variety called kammererite |
|
_database_code_amcsd 0000119 |
|
5.338 9.247 14.435 90.0 97.08 90.0 C-1 |
|
atom x y z occ |
|
Mg1 0 0 0 |
|
Mg2 -.001 .333 .002 |
|
Mg3 .003 .166 .504 |
|
Mg4 0 .5 .5 .1 |
|
Al4 0 .5 .5 .2 |
|
Cr4 0 .5 .5 .7 |
|
Si1 .400 .001 .191 .6 |
|
Al1 .400 .001 .191 .4 |
|
Si2 .894 .167 .191 .9 |
|
Al2 .894 .167 .191 .1 |
|
O1 .360 -.004 .075 |
|
O2 .860 .171 .076 |
|
OH1 .381 .333 .074 |
|
O3 .133 .065 .232 |
|
O4 .645 .100 .232 |
|
O5 .931 .328 .234 |
|
OH2 .154 -.002 .432 |
|
OH3 .129 .339 .428 |
|
OH4 .653 .164 .428 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Vermiculite |
|
Haase D J, Weiss E J, Steinfink H |
|
American Mineralogist 48 (1963) 261-270 |
|
The crystal structure of a hexamethylene-diamine-vermiculite complex |
|
_database_code_amcsd 0000122 |
|
5.33 9.18 17.12 90 97.0 90 C2 |
|
atom x y z |
|
Mg1 0 0 0 |
|
Mg2 0 .333 0 |
|
Mg3 0 .667 0 |
|
Si1 .3967 .9920 .1607 |
|
Si2 .3967 .3330 .1607 |
|
Ob .3579 .9920 .0624 |
|
Ob .3579 .3480 .0624 |
|
Ob .3579 .6617 .0624 |
|
O1 .4322 .1775 .1775 |
|
O2 .1482 .4040 .1960 |
|
O3 .1482 .9290 .1960 |
|
N1 .3200 .1600 .3300 |
|
C1 .1500 .1875 .3925 |
|
C2 .1300 .3475 .4035 |
|
C3 -.0400 .3750 .4690 |
|
C4 -.0600 .5350 .4800 |
|
C5 -.2300 .5625 .5455 |
|
C6 .75 .7225 .5565 |
|
N2 -.4200 .75 .6190 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Greenalite |
|
Shirozu H, Bailey S W |
|
American Mineralogist 50 (1965) 868-885 |
|
Chlorite polytypism: III. Crystal structure of an orthohexagonal iron chlorite |
|
_database_code_amcsd 0000136 |
|
5.390 9.336 14.166 90 90.0 90 C2/m |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Fe1 0 0 0 .67 .0074 .0035 .0029 -.0020 -.0008 .0002 |
|
Mg1 0 0 0 .165 .0074 .0035 .0029 -.0020 -.0008 .0002 |
|
Al1 0 0 0 .165 .0074 .0035 .0029 -.0020 -.0008 .0002 |
|
Fe2 0 1/3 0 .67 .0074 .0035 .0029 -.0020 -.0008 .0002 |
|
Mg2 0 1/3 0 .165 .0074 .0035 .0029 -.0020 -.0008 .0002 |
|
Al2 0 1/3 0 .165 .0074 .0035 .0029 -.0020 -.0008 .0002 |
|
Fe3 0 0 1/2 .47 .0082 .0027 .0029 -.0018 -.0010 -.0001 |
|
Mg3 0 0 1/2 .265 .0082 .0027 .0029 -.0018 -.0010 -.0001 |
|
Al3 0 0 1/2 .265 .0082 .0027 .0029 -.0018 -.0010 -.0001 |
|
Fe4 0 1/3 1/2 .47 .0082 .0027 .0029 -.0018 -.0010 -.0001 |
|
Mg4 0 1/3 1/2 .265 .0082 .0027 .0029 -.0018 -.0010 -.0001 |
|
Al4 0 1/3 1/2 .265 .0082 .0027 .0029 -.0018 -.0010 -.0001 |
|
Si .3328 1/3 .1949 .67 1.42 |
|
Al .3328 1/3 .1949 .33 1.42 |
|
O1 .3349 1/3 .0770 1.89 |
|
OH1 .3349 0 .0770 1.89 |
|
O2 .094 .236 .236 2.13 |
|
O3 .310 1/2 .236 1.51 |
|
OH2 .1656 1/6 .4303 2.58 |
|
OH3 .1656 1/2 .4303 2.58 |
|
|
| Download AMC data (View Text File)
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| |
|
Pyrope |
|
Gibbs G V, Smith J V |
|
American Mineralogist 50 (1965) 2023-2039 |
|
Refinement of the crystal structure of synthetic pyrope |
|
refinement D, note that temperature factors reported for Si were labelled |
|
incorrectly in the paper |
|
_database_code_amcsd 0000142 |
|
11.459 11.459 11.459 90 90 90 Ia-3d |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Al 0 0 0 .00060 .00060 .00060 .00004 .00004 .00004 |
|
Mg .125 0 .25 .00102 .00167 .00167 0 0 .00041 |
|
Si .375 0 .25 .00056 .00046 .00046 0 0 0 |
|
O .03284 .05014 .65330 .00099 .00103 .00078 .00013 -.00014 -.00009 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Cummingtonite |
|
Fischer K F |
|
American Mineralogist 51 (1966) 814-818 |
|
A further refinement of the crystal structure of cummingtonite |
|
(Mg,Fe)7(Si4O11)2(OH)2 |
|
_database_code_amcsd 0000145 |
|
9.51 18.19 5.33 90 101.9 90 C2/m |
|
atom x y z occ Biso |
|
Si1 .2874 .0842 .2746 .36 |
|
Si2 .2977 .1688 .7817 .43 |
|
Mg1 0 .0872 1/2 .84 .38 |
|
Fe1 0 .0872 1/2 .16 .38 |
|
Mg2 0 .1773 0 .95 .36 |
|
Fe2 0 .1773 0 .05 .36 |
|
Mg3 0 0 0 .84 .30 |
|
Fe3 0 0 0 .16 .30 |
|
Mg4 0 .2597 1/2 .13 .79 |
|
Fe4 0 .2597 1/2 .87 .79 |
|
O1 .1135 .0874 .2087 .56 |
|
O2 .1232 .1721 .7193 .67 |
|
O3 .1134 0 .7067 .81 |
|
O4 .3798 .2460 .7716 .89 |
|
O5 .3514 .1310 .0659 .89 |
|
O6 .3488 .1185 .5597 1.01 |
|
O7 .3417 0 .2719 .88 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Mizzonite |
| |
Papike J J, Stephenson N C |
|
American Mineralogist 51 (1966) 1014-1027 |
|
The crystal structure of mizzonite, a calcium- and carbonate-rich scapolite |
|
_database_code_amcsd 0000148 |
|
12.169 12.169 7.569 90 90 90 I4/m |
|
atom x y z occ Biso |
|
Ca .1428 .2170 0 .67 1.13 |
|
Na .1428 .2170 0 .19 1.13 |
|
K .1428 .2170 0 .11 1.13 |
|
Mg .1428 .2170 0 .03 1.13 |
|
Si1 .3391 .4084 0 .71 -.08 |
|
Al1 .3391 .4084 0 .29 -.08 |
|
Si2 .3393 .0866 .2069 .48 .03 |
|
Al2 .3393 .0866 .2069 .52 .03 |
|
O1 .4581 .3480 0 .58 |
|
O2 .3120 .1280 0 .87 |
|
O3 .0510 .3489 .2081 .84 |
|
O4 .2332 .1354 .3263 .79 |
|
C 0 0 0 .83 1.80 |
|
O-C1 0 0 0 .83 1.80 |
|
O-C2 0 0 0 .83 1.80 |
|
O-C3 0 0 0 .83 1.80 |
|
S 0 0 0 .15 1.80 |
|
O-S1 0 0 0 .15 1.80 |
|
O-S2 0 0 0 .15 1.80 |
|
O-S3 0 0 0 .15 1.80 |
|
O-S4 0 0 0 .15 1.80 |
|
Cl 0 0 0 .02 1.80 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Cordierite |
|
Gibbs G V |
|
American Mineralogist 51 (1966) 1068-1087 |
|
The polymorphism of cordierite I: The crystal structure of low cordierite |
|
_database_code_amcsd 0000149 |
|
17.083 9.738 9.335 90 90 90 Cccm |
|
atom x y z occ Biso |
|
Al1 1/4 1/4 1/4 .22 |
|
Si2 0 1/2 1/4 .92 .20 |
|
Al2 0 1/2 1/4 .08 .20 |
|
Si3 .1923 .0781 0 .26 |
|
Si4 .1351 -.2372 0 .23 |
|
Al5 .0506 .3084 0 .96 .25 |
|
Si5 .0506 .3084 0 .04 .25 |
|
Mg .3374 0 1/4 .77 .23 |
|
Fe .3374 0 1/4 .23 .23 |
|
O1 .2466 -.1040 .3591 .27 |
|
O2 .0616 -.4167 .3494 .24 |
|
O3 -.1730 -.3091 .3583 .31 |
|
O4 .0434 -.2453 0 .25 |
|
O5 .1224 .1848 0 .65 |
|
O6 .1639 -.0788 0 .54 |
|
Wat 0 0 1/4 .48 7.13 |
|
Li 0 0 1/4 .12 7.13 |
|
Na 0 0 1/4 .10 7.13 |
|
Ca 0 0 1/4 .03 7.13 |
|
K 0 0 1/4 .02 7.13 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Vermiculite |
|
Shirozu H, Bailey S W |
|
American Mineralogist 51 (1966) 1124-1143 |
|
Crystal structure of a two-layer Mg-vermiculite |
|
_database_code_amcsd 0000150 |
|
5.349 9.255 28.89 90 97.12 90 C2/c |
|
atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 0 .1638 .25 .96 |
|
Mg2 0 .4997 .25 .82 |
|
Mg3 0 .8332 .25 .86 |
|
Mg4 0 0 0 .41 2.30 |
|
Si1 .1042 .9997 .1545 .715 1.23 |
|
Al1 .1042 .9997 .1545 .285 1.23 |
|
Si2 .1026 .6647 .1547 .715 .83 |
|
Al2 .1026 .6647 .1547 .285 .83 |
|
O1 .1424 .0039 .2132 .83 |
|
O2 .1410 .6683 .2113 1.05 |
|
O3 .3579 .0697 .1338 2.09 |
|
O4 .3529 .5964 .1346 2.01 |
|
O5 .5593 .3316 .1339 1.94 |
|
OH .1420 .3380 .2129 1.21 |
|
Wat1 .3363 .9736 .0397 .62 .0601 .0242 .0006 -.0024 .0036 -.0036 |
|
Wat2 .3515 .3274 .0412 .62 .0768 .0226 .0007 -.0187 .0011 -.0037 |
|
Wat3 .3832 .6520 .0414 .62 .0686 .0276 .0006 -.0181 .0067 -.0034 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Clinopyroxene |
| |
Peacor D R |
|
American Mineralogist 52 (1967) 31-41 |
|
Refinement of the crystal structure of a pyroxene of formula M1M2(Si1.5Al0.5)O6 |
|
_database_code_amcsd 0000153 |
|
9.794 8.906 5.319 90 105.90 90 C2/c |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 0 .0932 .75 .57 .0018 .0010 .0048 0 -.0008 0 |
|
Fe1 0 .0932 .75 .22 .0018 .0010 .0048 0 -.0008 0 |
|
Al1 0 .0932 .75 .14 .0018 .0010 .0048 0 -.0008 0 |
|
Ti1 0 .0932 .75 .07 .0018 .0010 .0048 0 -.0008 0 |
|
Ca2 0 .6957 .75 .98 .0024 .0012 .0059 0 -.0004 0 |
|
Mn2 0 .6957 .75 .01 .0024 .0012 .0059 0 -.0004 0 |
|
Na2 0 .6957 .75 .01 .0024 .0012 .0059 0 -.0004 0 |
|
Si .2129 .4072 .7728 .75 .0005 .0006 .0031 .0000 -.0001 .0000 |
|
Al .2129 .4072 .7728 .25 .0005 .0006 .0031 .0000 -.0001 .0000 |
|
O1 .3870 .4122 .8623 .0010 .0010 .0046 -.0004 -.0003 .0005 |
|
O2 .1379 .2454 .6811 .0018 .0017 .0081 -.0007 -.0013 .0011 |
|
O3 .1482 .4811 .0083 .0008 .0019 .0074 -.0003 -.0004 .0007 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Sudoite |
|
Eggleton R A, Bailey S W |
|
American Mineralogist 52 (1967) 673-689 |
|
Structural aspects of dioctahedral chlorite |
|
_database_code_amcsd 0000155 |
|
5.237 9.070 14.285 90 97.03 90 C2/m |
|
atom x y z occ |
|
Si .2312 .1667 .1909 .83 |
|
Al .2312 .1667 .1909 .17 |
|
Al2 0 .3333 0 |
|
Mg3 0 .1667 .5 .77 |
|
Al3 0 .1667 .5 .23 |
|
Mg4 0 .5 .5 .77 |
|
Al4 0 .5 .5 .23 |
|
O1 .1900 .1667 .0720 |
|
O2 .1943 0 .2368 |
|
O3 .5066 .2335 .2332 |
|
OH1 .1900 .5 .0720 |
|
OH2 .1421 0 .4243 |
|
OH3 .1421 .3333 .4243 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Chlorite |
| |
Lister J S, Bailey S W |
|
American Mineralogist 52 (1967) 1614-1631 |
|
Chlorite polytypism: IV. Regular two-layer structures |
|
refined structure |
|
_database_code_amcsd 0000162 |
|
5.335 9.240 28.735 90 90 90 C1 |
|
atom x y z |
|
Mg1 0 0 0 |
|
Mg2 .007 .329 .002 |
|
Mg3 .987 .660 .996 |
|
Mg4 .164 .170 .25 |
|
Mg5 .180 .502 .25 |
|
Mg6 .176 .832 .25 |
|
Mg7 .021 .992 .498 |
|
Mg8 .984 .329 .496 |
|
Mg9 .015 .656 .497 |
|
Mg10 .338 .002 .750 |
|
Mg11 .345 .335 .750 |
|
Mg12 .348 .668 .750 |
|
Si1 .336 .338 .152 |
|
Si2 .339 .672 .154 |
|
Si3 .004 .001 .348 |
|
Si4 .006 .671 .344 |
|
Si5 .170 .167 .656 |
|
Si6 .170 .837 .653 |
|
Si7 .992 .005 .844 |
|
Si8 .992 .671 .845 |
|
O1 .098 .760 .132 |
|
O2 .590 .730 .138 |
|
O3 .322 .512 .138 |
|
O4 .333 .333 .214 |
|
O5 .333 .667 .214 |
|
O6 .215 .570 .371 |
|
O7 .739 .620 .358 |
|
O8 .514 .316 .369 |
|
O9 0 0 .286 |
|
O10 0 .667 .286 |
|
O11 .410 .732 .640 |
|
O12 .914 .758 .634 |
|
O13 .678 .508 .640 |
|
O14 .167 .167 .714 |
|
O15 .167 .833 .714 |
|
O16 .278 .621 .859 |
|
O17 .778 .571 .872 |
|
O18 .450 .328 .867 |
|
O19 0 0 .786 |
|
O20 0 .667 .786 |
|
OH1 .386 .002 .967 |
|
OH2 .366 .347 .967 |
|
OH3 .378 .667 .967 |
|
OH4 .172 .155 .034 |
|
OH5 .156 .504 .034 |
|
OH6 .154 .826 .034 |
|
OH7 .333 0 .214 |
|
OH8 0 .333 .286 |
|
OH9 .168 .167 .467 |
|
OH10 .140 .505 .467 |
|
OH11 .166 .843 .467 |
|
OH12 .363 .002 .534 |
|
OH13 .371 .327 .534 |
|
OH14 .384 .648 .534 |
|
OH15 .167 .5 .714 |
|
OH16 0 .333 .786 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Forsterite |
|
Birle J D, Gibbs G V, Moore P B, Smith J V |
|
American Mineralogist 53 (1968) 807-824 |
|
Crystal structures of natural olivines |
|
_database_code_amcsd 0000171 |
|
4.762 10.225 5.994 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Mg1 0 0 0 .9 .33 |
|
Fe1 0 0 0 .1 .33 |
|
Mg2 .98975 .27743 .25 .9 .36 |
|
Fe2 .98975 .27743 .25 .1 .36 |
|
Si .42693 .09434 .25 .20 |
|
O1 .76580 .09186 .25 .35 |
|
O2 .22012 .44779 .25 .42 |
|
O3 .27810 .16346 .03431 .41 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Forsterite |
|
Birle J D, Gibbs G V, Moore P B, Smith J V |
|
American Mineralogist 53 (1968) 807-824 |
|
Crystal structures of natural olivines |
|
Note: variety hyalosiderite |
|
_database_code_amcsd 0000172 |
|
4.785 10.325 6.038 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Mg1 0 0 0 .535 .32 |
|
Fe1 0 0 0 .456 .32 |
|
Mn1 0 0 0 .006 .32 |
|
Ca1 0 0 0 .002 .32 |
|
Mg2 .98598 .27880 .25 .535 .37 |
|
Fe2 .98598 .27880 .25 .456 .37 |
|
Mn2 .98598 .27880 .25 .006 .37 |
|
Ca2 .98598 .27880 .25 .002 .37 |
|
Si .42843 .09587 .25 .19 |
|
O1 .76566 .09430 .25 .40 |
|
O2 .21642 .45084 .25 .56 |
|
O3 .28264 .16370 .03435 .50 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Fayalite |
|
Birle J D, Gibbs G V, Moore P B, Smith J V |
|
American Mineralogist 53 (1968) 807-824 |
|
Crystal structures of natural olivines |
|
_database_code_amcsd 0000173 |
|
4.816 10.469 6.099 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Fe1 0 0 0 .922 .41 |
|
Mg1 0 0 0 .039 .41 |
|
Mn1 0 0 0 .037 .41 |
|
Ca1 0 0 0 .002 .41 |
|
Fe2 .98608 .28004 .25 .922 .36 |
|
Mg2 .98608 .28004 .25 .039 .36 |
|
Mn2 .98608 .28004 .25 .037 .36 |
|
Ca2 .98608 .28004 .25 .002 .36 |
|
Si .43070 .09723 .25 .27 |
|
O1 .76683 .09197 .25 .43 |
|
O2 .21027 .45308 .25 .48 |
|
O3 .28806 .16532 .03626 .52 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Fayalite |
|
Birle J D, Gibbs G V, Moore P B, Smith J V |
|
American Mineralogist 53 (1968) 807-824 |
|
Crystal structures of natural olivines |
|
Note: variety hortonolite |
|
_database_code_amcsd 0000174 |
|
4.787 10.341 6.044 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Mg1 0 0 0 .49 .36 |
|
Fe1 0 0 0 .49 .36 |
|
Mn1 0 0 0 .01 .36 |
|
Ca1 0 0 0 .01 .36 |
|
Mg2 .98678 .27915 .25 .49 .47 |
|
Fe2 .98678 .27915 .25 .49 .47 |
|
Mn2 .98678 .27915 .25 .01 .47 |
|
Ca2 .98678 .27915 .25 .01 .47 |
|
Si .42870 .09576 .25 .18 |
|
O1 .76844 .09173 .25 .28 |
|
O2 .21419 .44958 .25 .18 |
|
O3 .28401 .16395 .03442 .37 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Omphacite |
|
Clark J R, Papike J J |
|
American Mineralogist 53 (1968) 840-868 |
|
Crystal-chemical characterization of omphacites |
|
_database_code_amcsd 0000175 |
|
9.596 8.771 5.265 90 106.93 90 P2 |
|
atom x y z occ Biso |
|
Si1A .2890 .0972 .9774 .17 |
|
Si2A .2881 .9135 .4820 .17 |
|
Si1C .2137 .5880 .0196 .17 |
|
Si2C .2103 .4027 .5232 .17 |
|
Mg1 0 .9122 0 .81 .2 |
|
Fe1 0 .9122 0 .19 .2 |
|
Al11 0 .1002 .5 .95 .3 |
|
Fe11 0 .1002 .5 .05 .3 |
|
Al1H .5 .4045 0 .82 .3 |
|
Fe1H .5 .4045 0 .18 .3 |
|
Mg11H .5 .5957 .5 .80 .2 |
|
Fe11H .5 .5957 .5 .20 .2 |
|
Na2 0 .3036 0 .64 .8 |
|
Ca2 0 .3036 0 .36 .8 |
|
Na21 0 .7017 .5 .36 .7 |
|
Ca21 0 .7017 .5 .64 .7 |
|
Na2H .5 .8009 0 .03 .8 |
|
Ca2H .5 .8009 0 .97 .8 |
|
Na21H .5 .1996 .5 .64 .8 |
|
Ca21H .5 .1996 .5 .36 .8 |
|
O11A .112 .088 .864 .4 |
|
O12A .110 .922 .405 .4 |
|
O11C .386 .567 .103 .4 |
|
O12C .385 .411 .620 .4 |
|
O21A .364 .263 .066 .4 |
|
O22A .347 .747 .551 .4 |
|
O21C .133 .749 .939 .4 |
|
O22C .135 .244 .446 .4 |
|
O31A .360 .022 .757 .4 |
|
O32A .350 .994 .252 .4 |
|
O31C .154 .515 .255 .4 |
|
O32C .147 .489 .750 .4 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Staurolite |
|
Smith J V |
|
American Mineralogist 53 (1968) 1139-1155 |
|
The crystal structure of staurolite |
|
_database_code_amcsd 0000181 |
|
7.8713 16.6204 5.6560 90 90.0 90 C2/m |
|
atom x y z occ Biso |
|
Fe .39281 0 .24815 .586 1.01 |
|
Al .39281 0 .24815 .293 1.01 |
|
Ti .39281 0 .24815 .037 1.01 |
|
Si .13414 .16612 .24902 .928 .25 |
|
Al .13414 .16612 .24902 .063 .25 |
|
Al1A .5 .17511 0 .926 .29 |
|
Mg1A .5 .17511 0 .049 .29 |
|
Al1B .5 .17477 .5 .929 .31 |
|
Mg1B .5 .17477 .5 .049 .31 |
|
Al2 .26356 .41042 .25122 .933 .36 |
|
Mg2 .26356 .41042 .25122 .049 .36 |
|
Al3A 0 0 0 .278 .43 |
|
Fe3A 0 0 0 .137 .43 |
|
Al3B 0 0 .5 .189 .41 |
|
Fe3B 0 0 .5 .093 .41 |
|
Fe1 .5 0 0 .054 .40 |
|
Mn1 .5 0 0 .026 .40 |
|
Fe2 .5 0 .5 .026 .40 |
|
Mn2 .5 0 .5 .012 .40 |
|
O1A .23274 0 .96313 .68 |
|
O1B .23438 0 .53428 .69 |
|
O2A .25569 .16153 .01527 .49 |
|
O2B .25519 .16127 .48391 .49 |
|
O3 .00143 .08917 .24702 .59 |
|
O4 .02156 .24925 .24925 .45 |
|
O5 .52741 .10004 .24944 .42 |
|
|
| Download AMC data (View Text File)
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| |
|
Glaucophane |
|
Papike J J, Clark J R |
|
American Mineralogist 53 (1968) 1156-1173 |
|
The crystal structure and cation distribution of glaucophane |
|
_database_code_amcsd 0000182 |
|
9.541 17.740 5.295 90 103.67 90 C2/m |
|
atom x y z occ Biso |
|
Mg1 0 .0908 .5 .84 .38 |
|
Fe1 0 .0908 .5 .16 .38 |
|
Al2 0 .1807 0 .91 .26 |
|
Fe2 0 .1807 0 .09 .26 |
|
Mg3 0 0 0 .71 .24 |
|
Fe3 0 0 0 .29 .24 |
|
Na4 0 .2772 .5 .98 .80 |
|
Ca4 0 .2772 .5 .02 .80 |
|
Si1 .2831 .0871 .2931 .31 |
|
Si2 .2920 .1730 .8087 .29 |
|
O1 .1092 .0927 .2037 .50 |
|
O2 .1177 .1714 .7480 .50 |
|
OH3 .1126 0 .7088 .65 |
|
O4 .3679 .2529 .8058 .61 |
|
O5 .3548 .1318 .0893 .64 |
|
O6 .3407 .1224 .5814 .68 |
|
O7 .3317 0 .3018 .66 |
|
|
| Download AMC data (View Text File)
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| |
|
Sapphirine |
|
Moore P B |
|
American Mineralogist 54 (1969) 31-49 |
|
The crystal structure of sapphirine |
|
_database_code_amcsd 0000187 |
|
11.266 14.401 9.929 90 125.46 90 P2_1/a |
|
atom x y z occ Biso |
|
Al1 .0078 .1584 .1375 .27 |
|
Al2 -.0089 .1560 .6136 .40 |
|
Al3 -.0043 .0567 .3726 .50 .20 |
|
Mg3 -.0043 .0567 .3726 .50 .20 |
|
Mg4 -.0013 .0567 .8728 .38 |
|
Mg5 .0081 .3667 .1425 .31 |
|
Mg6 -.0084 .3649 .6079 .26 |
|
Al7 0 .2569 .8754 .33 |
|
Al8 .2510 .2496 .8755 .33 |
|
Al1 .1963 .5559 .2442 .42 |
|
Si2 .2018 .5536 .7552 .75 .44 |
|
Al2 .2018 .5536 .7552 .25 .44 |
|
Al3 .2026 .4502 .5072 .50 .20 |
|
Si3 .2026 .4502 .5072 .50 .20 |
|
Al4 .1993 .4420 .0051 .75 .19 |
|
Si4 .1993 .4420 .0051 .25 .19 |
|
Al5 .1878 .7552 .7553 .21 |
|
Al6 .1872 .2458 .5041 .20 |
|
O1 .1205 .2556 .1174 .26 |
|
O2 .1281 .2524 .6315 .54 |
|
O3 .1170 .0555 .1244 .39 |
|
O4 .1091 .0533 .6176 .54 |
|
O5 .1146 .1547 .3658 .49 |
|
O6 .1052 .1667 .8467 .58 |
|
O7 .1124 -.0540 .3754 .72 |
|
O8 .1114 -.0611 .8692 .55 |
|
O9 .3726 .2503 .1123 .35 |
|
O10 .3771 .2472 .6261 .64 |
|
O11 .3596 .0389 .1255 .54 |
|
O12 .3696 .0408 .6287 .60 |
|
O13 .3898 .3425 .3866 .63 |
|
O14 .3943 .3320 .9009 .23 |
|
O15 .3620 .1486 .3507 .36 |
|
O16 .3736 .1568 .8751 .53 |
|
O17 .1415 .4556 .1246 .35 |
|
O18 .1482 .4618 .6330 .42 |
|
O19 .1332 .3500 .3961 .62 |
|
O20 .1244 .3449 .8697 .28 |
|
|
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| |
|
Osumilite |
|
Brown G E, Gibbs G V |
|
American Mineralogist 54 (1969) 101-116 |
|
Refinement of the crystal structure of osumilite |
|
_database_code_amcsd 0000188 |
|
10.155 10.155 14.284 90 90 120 P6/mcc |
|
atom x y z occ Biso |
|
K 0 0 .25 .71 3.6 |
|
Na 0 0 .25 .28 3.6 |
|
Ca 0 0 .25 .01 3.6 |
|
Mg .3333 .6667 .25 .46 .90 |
|
Fe .3333 .6667 .25 .46 .90 |
|
Mn .3333 .6667 .25 .08 .90 |
|
Si1 .1037 .3513 .1085 .85 1.25 |
|
Al1 .1037 .3513 .1085 .15 1.25 |
|
Al2 .5 0 .25 .88 1.31 |
|
Fe2 .5 0 .25 .12 1.31 |
|
O1 .1216 .4046 0 2.5 |
|
O2 .2142 .2837 .1316 2.4 |
|
O3 .1372 .4913 .1789 1.8 |
|
Wat .031 .114 0 .166 9 |
|
|
| Download AMC data (View Text File)
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| |
|
Norbergite |
|
Gibbs G V, Ribbe P H |
|
American Mineralogist 54 (1969) 376-390 |
|
The crystal structures of the humite minerals: I. Norbergite |
|
_database_code_amcsd 0000190 |
|
4.7104 10.2718 8.7476 90 90 90 Pbnm |
|
atom x y z occ Biso |
|
Mg1 .9890 .6330 .4305 .33 |
|
Mg2 .9924 .9077 .25 .38 |
|
Si .4195 .7196 .25 .28 |
|
O1 .7617 .7204 .25 .38 |
|
O2 .2793 .5740 .25 .32 |
|
O3 .2690 .7907 .1034 .32 |
|
F .7295 .9682 .0834 .9 .74 |
|
OH .7295 .9682 .0834 .1 .74 |
|
|
| Download AMC data (View Text File)
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| |
|
Gageite |
|
Moore P B |
|
American Mineralogist 54 (1969) 1005-1017 |
|
A novel octahedral framework structure: gageite |
|
_database_code_amcsd 0000192 |
|
13.79 13.68 3.279 90 90 90 Pnnm |
|
atom x y z occ Biso |
|
Mg1 0 0 .5 .83 .42 |
|
Mn1 0 0 .5 .17 .42 |
|
Mg2 .3382 .3847 .5 .59 .81 |
|
Mn2 .3382 .3847 .5 .41 .81 |
|
Mn3 .4227 .1520 0 1.16 |
|
Mn4 .1013 .4493 0 .79 |
|
Si1 .2111 .0974 .5 .5 .32 |
|
Si2 .0684 .1952 0 .5 .17 |
|
O1 .5 0 0 1.52 |
|
OH2 .3316 .0940 .5 1.57 |
|
OH3 .3411 .2860 0 .75 |
|
OH4 .4901 .4029 .5 .5 1.50 |
|
OH5 .3505 .4895 0 1.27 |
|
OH6 .1879 .3904 .5 .77 |
|
OH7 .0176 .3060 0 .5 1.28 |
|
O8 .1556 .1799 .323 .5 .29 |
|
O9 .1928 .1475 .024 .5 1.30 |
|
|
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| |
|
Chondrodite |
|
Gibbs G V, Ribbe P H, Anderson C P |
|
American Mineralogist 55 (1970) 1182-1194 |
|
The crystal structures of the humite minerals. II. Chondrodite |
|
_database_code_amcsd 0000208 |
|
4.7284 10.2539 7.8404 109.059 90 90 P2_1/b |
|
atom x y z occ Biso |
|
Mg1 .5 0 .5 .95 .49 |
|
Fe1 .5 0 .5 .05 .49 |
|
Mg2 .0091 .1731 .3055 .45 |
|
Mg3 .4915 .8867 .0791 .43 |
|
Si .0768 .1441 .7038 .20 |
|
O1 .7787 .0009 .2937 .36 |
|
O2 .7280 .2404 .1252 .40 |
|
O3 .2255 .1682 .5275 .35 |
|
O4 .2649 .8546 .2943 .42 |
|
OH .2656 .0582 .1018 .35 .50 |
|
F .2656 .0582 .1018 .65 .50 |
|
|
| Download AMC data (View Text File)
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| |
|
Pigeonite |
|
Morimoto N, Guven N |
|
American Mineralogist 55 (1970) 1195-1209 |
|
Refinement of the crystal structure of pigeonite |
|
Locality: Isle of Mull, Scotland |
|
_database_code_amcsd 0000209 |
|
9.706 8.950 5.246 90 108.59 90 P2_1/c |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mg1 .2508 .6548 .2328 .72 .0017 .0016 .0078 .0001 .0013 .0001 |
|
Fe1 .2508 .6548 .2328 .28 .0017 .0016 .0078 .0001 .0013 .0001 |
|
Fe2 .2564 .0183 .2308 .76 .0028 .0045 .0114 .0005 .0007 .0005 |
|
Ca2 .2564 .0183 .2308 .18 .0028 .0045 .0114 .0005 .0007 .0005 |
|
Mg2 .2564 .0183 .2308 .06 .0028 .0045 .0114 .0005 .0007 .0005 |
|
SiA .0427 .3398 .2797 .0017 .0015 .0069 -.0001 .0010 -.0012 |
|
SiB .5504 .8367 .2372 .0014 .0016 .0052 -.0004 .0008 .0006 |
|
O1A .8659 .3404 .1715 .0011 .0023 .0067 -.0004 .0003 -.0013 |
|
O2A .1220 .4970 .3306 .0041 .0013 .0076 -.0002 .0032 -.0008 |
|
O3A .1037 .2633 .5779 .0014 .0030 .0121 -.0006 .0008 .0023 |
|
O1B .3743 .8342 .1344 .0023 .0016 .0056 .0003 .0017 -.0007 |
|
O2B .6290 .9877 .3765 .0022 .0045 .0139 -.0018 .0033 -.0033 |
|
O3B .6053 .7087 .4773 .0010 .0038 .0106 -.0005 .0003 .0024 |
|
|
| Download AMC data (View Text File)
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| |
|
Vermiculite |
|
Kanamaru F, Vand V |
|
American Mineralogist 55 (1970) 1550-1561 |
|
The crystal structure of a clay-organic complex of 6-amino hexanoic acid and |
|
vermiculite |
|
_database_code_amcsd 0000213 |
|
5.33 9.18 17.45 90 97.0 90 C2 |
|
atom x y z occ |
|
Mg1 0 0 0 .79 |
|
Fe1 0 0 0 .16 |
|
Al1 0 0 0 .05 |
|
Mg2 0 .333 0 .79 |
|
Fe2 0 .333 0 .16 |
|
Al2 0 .333 0 .05 |
|
Mg3 0 .667 0 .79 |
|
Fe3 0 .667 0 .16 |
|
Al3 0 .667 0 .05 |
|
Si1 .393 0 .160 .68 |
|
Al1 .393 0 .160 .32 |
|
Si2 .393 .333 .160 .68 |
|
Al2 .393 .333 .160 .32 |
|
O1 .352 0 .061 |
|
O2 .352 .333 .061 |
|
O3 .352 .667 .061 |
|
O4 .136 .464 .189 |
|
O5 .136 .929 .189 |
|
O6 .412 .167 .218 |
|
OH .715 .332 .330 |
|
O .465 .298 .432 |
|
C0 .600 .366 .392 |
|
C1 .480 .505 .422 |
|
C2 .595 .633 .383 |
|
C3 .475 .763 .413 |
|
C4 .590 .900 .375 |
|
C5 .470 .038 .405 |
|
N .585 .167 .367 |
|
|
| Download AMC data (View Text File)
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| |
|
Gedrite |
|
Papike J J, Ross M |
|
American Mineralogist 55 (1970) 1945-1972 |
|
Gedrites: Crystal structures and intracrystalline cation distributions |
|
sample 001 |
|
_database_code_amcsd 0000215 |
|
18.531 17.741 5.249 90 90 90 Pnma |
|
atom x y z occ Biso |
|
Si1A .2315 -.1631 -.4487 .66 .43 |
|
Al1A .2315 -.1631 -.4487 .34 .43 |
|
Si1B .0202 -.1645 .2971 .62 .42 |
|
Al1B .0202 -.1645 .2971 .38 .42 |
|
Si2A .2278 -.0760 .0502 .46 |
|
Si2B .0266 -.0802 -.1985 .84 .58 |
|
Al2B .0266 -.0802 -.1985 .16 .58 |
|
Mg1 .1244 .1611 .3737 .88 .75 |
|
Fe1 .1244 .1611 .3737 .12 .75 |
|
Al2 .1248 .0731 -.1281 .60 .34 |
|
Mg2 .1248 .0731 -.1281 .36 .34 |
|
Fe2 .1248 .0731 -.1281 .04 .34 |
|
Mg3 .1249 .25 -.1248 .90 .47 |
|
Fe3 .1249 .25 -.1248 .10 .47 |
|
Mg4 .1189 -.0145 .3636 .55 .63 |
|
Fe4 .1189 -.0145 .3636 .42 .63 |
|
Ca4 .1189 -.0145 .3636 .02 .63 |
|
Na4 .1189 -.0145 .3636 .01 .63 |
|
Na .1151 -.2500 .8533 .34 1.47 |
|
O1A .1796 .1603 .0312 .40 |
|
O1B .0695 .1584 -.2860 .92 |
|
O2A .1840 .0737 -.4436 1.05 |
|
O2B .0622 .0742 .1875 .50 |
|
O3A .1797 .25 -.4571 1.02 |
|
O3B .0700 .25 .2087 .75 |
|
O4A .1868 .0022 .0425 .62 |
|
O4B .0679 -.0046 -.2985 .74 |
|
O5A .1968 -.1090 .3206 1.06 |
|
O5B .0549 -.1026 .0943 .72 |
|
O6A .2022 -.1313 -.1752 .73 |
|
O6B .0472 -.1450 -.4097 1.49 |
|
O7A .2030 -.2500 .5138 .65 |
|
O7B .0454 -.2500 .2153 1.31 |
|
|
| Download AMC data (View Text File)
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| |
|
Sodicgedrite |
| |
Papike J J, Ross M |
|
American Mineralogist 55 (1970) 1945-1972 |
|
Gedrites: Crystal structures and intracrystalline cation distributions |
|
sample 002 |
|
_database_code_amcsd 0000216 |
|
18.601 17.839 5.284 90 90 90 Pnma |
|
atom x y z occ Biso |
|
Si1A .2323 -.1626 -.4505 .73 .56 |
|
Al1A .2323 -.1626 -.4505 .27 .56 |
|
Si1B .0199 -.1641 .3018 .56 .50 |
|
Al1B .0199 -.1641 .3018 .44 .50 |
|
Si2A .2282 -.0759 .0509 .98 .44 |
|
Al2A .2282 -.0759 .0509 .02 .44 |
|
Si2B .0268 -.0799 -.1947 .71 .59 |
|
Al2B .0268 -.0799 -.1947 .29 .59 |
|
Mg1 .1242 .1603 .3705 .67 .71 |
|
Fe1 .1242 .1603 .3705 .33 .71 |
|
Al2 .1247 .0724 -.1290 .68 .30 |
|
Mg2 .1247 .0724 -.1290 .23 .30 |
|
Fe2 .1247 .0724 -.1290 .09 .30 |
|
Mg3 .1243 .25 -.1294 .61 .57 |
|
Fe3 .1243 .25 -.1294 .39 .57 |
|
Fe4 .1184 -.0153 .3635 .65 .62 |
|
Mg4 .1184 -.0153 .3635 .32 .62 |
|
Ca4 .1184 -.0153 .3635 .02 .62 |
|
Na4 .1184 -.0153 .3635 .01 .62 |
|
Na .1171 -.2500 .8480 .52 1.53 |
|
O1A .1790 .1581 .0315 .78 |
|
O1B .0701 .1568 -.2900 .76 |
|
O2A .1850 .0731 -.4409 .80 |
|
O2B .0635 .0739 .1808 .85 |
|
O3A .1811 .25 -.4662 .77 |
|
O3B .0701 .25 .2111 .90 |
|
O4A .1863 .0028 .0445 .85 |
|
O4B .0685 -.0049 -.2986 .86 |
|
O5A .1973 -.1100 .3215 .78 |
|
O5B .0545 -.1014 .0989 1.01 |
|
O6A .2030 -.1320 -.1763 1.12 |
|
O6B .0473 -.1461 -.4036 1.10 |
|
O7A .2050 -.2500 .5141 1.18 |
|
O7B .0453 -.2500 .2154 .77 |
|
|
| Download AMC data (View Text File)
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| |
|
Pyrope |
|
Novak G A, Meyer H O A |
|
American Mineralogist 55 (1970) 2124-2127 |
|
Refinement of the crystal structure of a chrome pyrope garnet: An inclusion in |
|
natural diamond |
|
_database_code_amcsd 0000218 |
|
11.526 11.526 11.526 90 90 90 Ia-3d |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Mgx 0 .25 .125 .875 .00095 .00134 .00134 0 0 .00033 |
|
Fex 0 .25 .125 .089 .00095 .00134 .00134 0 0 .00033 |
|
Cax 0 .25 .125 .030 .00095 .00134 .00134 0 0 .00033 |
|
Mnx 0 .25 .125 .005 .00095 .00134 .00134 0 0 .00033 |
|
Aly 0 0 0 .670 .00058 .00058 .00058 -.00003 -.00003 -.00003 |
|
Cry 0 0 0 .286 .00058 .00058 .00058 -.00003 -.00003 -.00003 |
|
Fey 0 0 0 .044 .00058 .00058 .00058 -.00003 -.00003 -.00003 |
|
Si 0 .25 .375 .996 .00068 .00068 .00055 0 0 0 |
|
Al 0 .25 .375 .004 .00068 .00068 .00055 0 0 0 |
|
O1 .03346 .0507 .65366 .00130 .00142 .00115 0.00006 -.00019 .00002 |
|
|
| Download AMC data (View Text File)
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| |
|
Pyrope |
|
Novak G A, Gibbs G V |
|
American Mineralogist 56 (1971) 791-825 |
|
The crystal chemistry of the silicate garnets |
|
sample Py |
|
Locality: synthetic |
|
_database_code_amcsd 0000238 |
|
11.459 11.459 11.459 90 90 90 Ia-3d |
|
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .375 0 .25 .00039 .00043 .00043 0 0 0 |
|
Al 0 0 0 .00075 .00075 .00075 .00001 .00001 .00001 |
|
Mg .125 0 .25 .00121 .00170 .00170 0 0 .00039 |
|
O .03285 .05015 .65335 .00104 .00103 .00087 .00012 -.00005 -.00005 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Pyrope |
|
Novak G A, Gibbs G V |
|
American Mineralogist 56 (1971) 791-825 |
|
The crystal chemistry of the silicate garnets |
|
sample Cr-Py |
|
Locality: inclusioin in a Venezuelan diamond |
|
_database_code_amcsd 0000239 |
|
11.526 11.526 11.526 90 90 90 Ia-3d |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .375 0 .25 .00068 .00055 .00055 0 0 0 |
|
Al 0 0 0 .67 .00059 .00059 .00059 -.00003 -.00003 -.00003 |
|
Cr 0 0 0 .33 .00059 .00059 .00059 -.00003 -.00003 -.00003 |
|
Mg .125 0 .25 .88 .00096 .00134 .00134 0 0 .00033 |
|
Fe .125 0 .25 .12 .00096 .00134 .00134 0 0 .00033 |
|
O .03346 .0507 .65366 .0013 .00142 .00115 .00006 -.00019 .00003 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Almandine |
|
Novak G A, Gibbs G V |
|
American Mineralogist 56 (1971) 791-825 |
|
The crystal chemistry of the silicate garnets |
|
sample Al |
|
Locality: Emerald creek in Latah Co, Idaho, USA |
|
_database_code_amcsd 0000240 |
|
11.531 11.531 11.531 90 90 90 Ia-3d |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .375 0 .25 .00040 .00026 .00026 0 0 0 |
|
Al 0 0 0 .00052 .00052 .00052 .00009 .00009 .00009 |
|
Fe .125 0 .25 .86 .00074 .00102 .00102 0 0 .00005 |
|
Mg .125 0 .25 .09 .00074 .00102 .00102 0 0 .00005 |
|
Ca .125 0 .25 .04 .00074 .00102 .00102 0 0 .00005 |
|
O .03427 .0486 .65332 .00071 .00062 .00066 .00009 .00005 .00008 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
|
Goldmanite |
|
Novak G A, Gibbs G V |
|
American Mineralogist 56 (1971) 791-823 |
|
The crystal chemistry of the silicate garnets |
|
sample Go |
|
Locality: Laguna Uranium mining district, New Mexico, USA |
|
_database_code_amcsd 0000245 |
|
12.011 12.011 12.011 90 90 90 Ia-3d |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Si .375 0 .25 .00076 .00071 .00071 0 0 0 |
|
V 0 0 0 .60 .00075 .00075 .00075 -.00004 -.00004 -.00004 |
|
Al 0 0 0 .24 .00075 .00075 .00075 -.00004 -.00004 -.00004 |
|
Fe 0 0 0 .16 .00075 .00075 .00075 -.00004 -.00004 -.00004 |
|
Ca .125 0 .25 .97 .00095 .00122 .00122 0 0 .00014 |
|
Mg .125 0 .25 .03 .00095 .00122 .00122 0 0 .00014 |
|
O .0385 .04742 .65387 .00194 .00109 .00142 .00001 -.00029 .00002 |
|
|
| Download AMC data (View Text File)
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Ferrosilite |
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Burnham C W, Ohashi Y, Hafner S S, Virgo D |
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American Mineralogist 56 (1971) 850-876 |
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Cation distribution and atomic thermal vibrations in an iron-rich orthopyroxene |
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_database_code_amcsd 0000247 |
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18.405 9.0338 5.2390 90 90 90 Pbca |
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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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SiA .27194 .33944 .04905 .00022 .00158 .00366 -.00008 .00007 -.00012 |
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SiB .47343 .33490 .79113 .00026 .00159 .00364 .00008 0 .00014 |
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Fe1 .37566 .65424 .87451 .75 .00043 .00192 .00506 -.00001 -.00010 -.00012 |
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Mg1 .37566 .65424 .87451 .25 .00043 .00192 .00506 -.00001 -.00010 -.00012 |
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Fe2 .37795 .48456 .36682 .96 .00060 .00288 .00646 -.00012 -.00046 .00013 |
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Ca2 .37795 .48456 .36682 .04 .00060 .00288 .00646 -.00012 -.00046 .00013 |
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O1a .18427 .33889 .03899 .00022 .00194 .00567 0 .00010 -.00025 |
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O2a .31130 .49661 .05755 .00047 .00157 .00513 -.00016 -.00010 -.00015 |
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O3a .30229 .23575 -.18414 .00032 .00301 .00455 -.00004 .00004 -.00106 |
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O1b .56154 .33620 .78991 .00024 .00227 .00662 0 -.00001 .00023 |
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O2b .43335 .48202 .69459 .00053 .00203 .00612 .00025 .00041 .00051 |
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O3b .44735 .20274 .58737 .00037 .00259 .00569 -.00014 .00017 -.00113 |
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Pigeonite |
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Clark J R, Ross M, Appleman D E |
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American Mineralogist 56 (1971) 888-908 |
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Crystal chemistry of a lunar pigeonite |
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class b data refinement |
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_database_code_amcsd 0000248 |
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9.678 8.905 5.227 90 108.71 90 P2_1/c |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Mg1 .2506 .6548 .2300 .67 .55 |
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Fe1 .2506 .6548 .2300 .33 .55 |
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Mg2 .2564 .0167 .2246 .41 .51 .0017 .0018 .0038 .0003 .0006 .0004 |
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Fe2 .2564 .0167 .2246 .59 .51 .0017 .0018 .0038 .0003 .0006 .0004 |
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SiA .0434 .3399 .2844 .40 |
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SiB .5520 .8364 .2368 .34 |
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O1A .8684 .3373 .1740 .57 |
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O1B .3755 .8357 .1296 .43 |
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O2A .1231 .4977 .3312 .78 |
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O2B .6314 .9850 .3814 .59 |
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O3A .1048 .2683 .5917 1.12 .0022 .0054 .0095 .0000 .0016 .0033 |
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O3B .6045 .7047 .4707 1.05 .0022 .0044 .0110 .0007 .0022 .0026 |
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Humite |
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Ribbe P H, Gibbs G V |
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American Mineralogist 56 (1971) 1155-1173 |
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Crystal structures of the humite minerals: III. Mg/Fe ordering in humite and its |
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relation to other ferromagnesian silicates |
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_database_code_amcsd 0000250 |
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4.7408 10.2580 20.8526 90 90 90 Pbnm |
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atom x y z occ Biso |
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Mg1 .0017 .3773 .1767 .943 .50 |
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Fe1 .0017 .3773 .1767 .057 .50 |
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Mg2 .5108 .1540 .25 .943 .50 |
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Fe2 .5108 .1540 .25 .057 .50 |
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Mg3 .0087 .0976 .1092 .943 .50 |
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Fe3 .0087 .0976 .1092 .057 .50 |
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Mg4 .4925 .8665 .0278 .943 .50 |
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Fe4 .4925 .8665 .0278 .057 .50 |
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Si1 .0752 .9691 .25 .27 |
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Si2 .5765 .2819 .1059 .15 |
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O11 .7320 .9679 .25 .57 |
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O12 .2816 .3233 .25 .54 |
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O13 .2198 .0382 .1882 .47 |
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O21 .2368 .2827 .1048 .33 |
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O22 .7805 .9264 .1046 .52 |
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O23 .7225 .2141 .1686 .49 |
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O24 .7261 .2087 .0452 .35 |
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F .2621 .0328 .0357 .5 .59 |
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OH .2621 .0328 .0357 .5 .59 |
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Forsterite |
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Baur W H |
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American Mineralogist 57 (1972) 709-731 |
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Computer-simulated crystal structures of observed and hypothetical Mg2SiO4 |
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polymorphs of low and high density |
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Locality: hypothetical |
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_database_code_amcsd 0000276 |
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4.79 10.19 5.85 90 90 90 Pbnm |
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atom x y z |
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Si .0945 .4078 .25 |
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Mg1 0 0 0 |
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Mg2 .0056 .2632 .75 |
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O1 .2499 .0907 .75 |
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O2 .2832 .0578 .25 |
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O3 .2312 .3370 .4707 |
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Wadsleyite |
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Baur W H |
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American Mineralogist 57 (1972) 709-731 |
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Computer-simulated crystal structures of observed and hypothetical Mg2SiO4 |
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Polymorphs of low and high density |
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Locality: hypothetical |
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_database_code_amcsd 0000277 |
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8.16 11.68 5.71 90 90 90 Ibmm |
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atom x y z |
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Si .1303 .1255 .25 |
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Mg1 .2297 0 .75 |
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Mg2 .25 .25 .75 |
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Mg3 0 .3701 0 |
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O1 .0300 0 .25 |
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O2 .4799 0 .75 |
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O3 .0040 .2348 .25 |
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O4 .2557 .3751 .0168 |
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| Download AMC data (View Text File)
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Ringwoodite |
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Baur W H |
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American Mineralogist 57 (1972) 709-731 |
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Computer-simulated crystal structures of observed and hypothetical Mg2SiO4 |
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polymorphs of low and high density |
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normal |
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Locality: hypothetical |
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_database_code_amcsd 0000278 |
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8.12 8.12 8.12 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z |
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Si .125 .125 .125 |
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Mg .5 .5 .5 |
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O .2416 .2416 .2416 |
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| Download AMC data (View Text File)
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Ringwoodite |
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Baur W H |
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American Mineralogist 57 (1972) 709-731 |
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Computer-simulated crystal structures of observed and hypothetical Mg2SiO4 |
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polymorphs of low and high density |
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inverse |
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Locality: hypothetical |
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_database_code_amcsd 0000279 |
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8.17 8.17 8.17 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ |
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Si .5 .5 .5 .5 |
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Mg1 .5 .5 .5 .5 |
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Mg2 .125 .125 .125 |
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O .2630 .2630 .2630 |
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| Download AMC data (View Text File)
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Mg2SiO4 |
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Baur W H |
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American Mineralogist 57 (1972) 709-731 |
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Computer-simulated crystal structures of observed and hypothetical Mg2SiO4 |
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polymorphs of low and high density |
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Model I |
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Locality: hypothetical |
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_database_code_amcsd 0000280 |
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10.11 5.77 4.70 90 90. 90 P2/m |
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atom x y z |
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Si1 .8420 .5 .8752 |
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Si2 .3226 0 .8824 |
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Mg1 .5 .5 0 |
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Mg2 0 0 .5 |
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Mg3 0 .5 .5 |
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Mg4 .5 0 .5 |
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Mg5 .2482 .2527 .4990 |
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O1 .3154 .5 .2105 |
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O2 .1642 .5 .7757 |
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O3 .8305 0 .2334 |
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O4 .3330 0 .2309 |
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O5 .0851 .2601 .2287 |
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O6 .5932 .2281 .2210 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Mg2SiO4 |
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Baur W H |
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American Mineralogist 57 (1972) 709-731 |
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Computer-simulated crystal structures of observed and hypothetical Mg2SiO4 |
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polymorphs of low and high density |
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Model II |
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Locality: hypothetical |
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_database_code_amcsd 0000281 |
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10.05 5.75 4.87 90 90.0 90 C2/m |
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atom x y z |
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Si .3330 0 .8987 |
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Mg1 0 0 0 |
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Mg2 .5 0 .5 |
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Mg3 .25 .25 .5 |
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O1 .8194 0 .2220 |
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O2 .3341 0 .2353 |
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O3 .0908 .2703 .2253 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Mg2SiO4 |
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Baur W H |
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American Mineralogist 57 (1972) 709-731 |
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Computer-simulated crystal structures of observed and hypothetical Mg2SiO4 |
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polymorphs of low and high density |
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Model III |
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Locality: hypothetical |
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_database_code_amcsd 0000282 |
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10.03 5.77 4.52 90 90.0 90 C2/m |
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atom x y z |
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Si .3309 0 .8538 |
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Mg1 0 0 .5 |
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Mg2 .5 0 .5 |
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Mg3 .25 .25 .5 |
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O1 .8292 0 .2219 |
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O2 .3337 0 .2163 |
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O3 .0864 .2606 .2196 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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