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Clinoenstatite |
 |
Tribaudino M, Nestola F, Camara F, Domeneghetti M C |
 |
American Mineralogist 87 (2002) 648-657 |
|
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene |
|
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior |
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Sample: dien1 T = 1038 deg C |
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_database_code_amcsd 0002799 |
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9.773 8.962 5.271 90 108.99 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1A .86851 .33792 .17346 .02453 .02270 .02279 .02392 .00603 .00185 -.00022 |
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O1B .37326 .84298 .13288 .02440 .01854 .03292 .02364 .00073 .00944 .00263 |
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O2A .12306 .49709 .33023 .03242 .03611 .02643 .03503 -.01207 .01199 -.01426 |
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O2B .62729 .98937 .37205 .04033 .03885 .03969 .04646 -.01300 .01940 -.00072 |
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O3A .10337 .26371 .58561 .03129 .01962 .03966 .03383 -.00139 .00765 .01987 |
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O3B .60188 .71307 .48527 .03133 .02920 .03944 .02786 .00495 .01272 .01246 |
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SiA .04316 .33983 .27886 .01932 .01836 .01747 .02239 -.00196 .00700 .00228 |
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SiB .54744 .84026 .24409 .02209 .01627 .02454 .02556 -.00322 .00695 -.00196 |
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Mg1 .24987 .65144 .23118 .02581 .02716 .02629 .02310 -.00454 .00695 .00247 |
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Mg2 .25375 .01747 .23273 .85 .04168 .03847 .04574 .03479 .00308 .00362 .00580 |
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Ca2 .25375 .01747 .23273 .15 .04168 .03847 .04574 .03479 .00308 .00362 .00580 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinoenstatite |
|
Tribaudino M, Nestola F, Camara F, Domeneghetti M C |
|
American Mineralogist 87 (2002) 648-657 |
|
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene |
|
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior |
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Sample: dien1 T = 25 deg C |
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_database_code_amcsd 0002800 |
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9.651 8.846 5.202 90 108.34 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1A .86657 .33948 .17890 .00662 .00494 .00690 .00789 .00005 .00181 .00066 |
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O1B .37428 .83968 .12721 .00668 .00494 .00843 .00658 .00005 .00169 .00046 |
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O2A .12121 .50101 .32229 .00800 .00980 .00567 .00908 -.00218 .00377 -.00030 |
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O2B .63154 .98539 .38134 .01184 .01156 .00931 .01722 -.00530 .00822 -.00598 |
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O3A .10505 .27466 .60141 .01017 .00700 .01225 .01143 .00084 .00314 .00524 |
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O3B .60473 .70086 .46442 .01001 .00686 .01411 .00909 .00095 .00255 .00505 |
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SiA .04243 .34128 .28683 .00555 .00529 .00501 .00701 -.00049 .00286 -.00051 |
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SiB .55079 .83814 .23243 .00561 .00533 .00528 .00662 -.00079 .00245 -.00065 |
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Mg1 .25088 .65386 .22278 .00694 .00693 .00705 .00690 -.00003 .00227 .00070 |
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Mg2 .25548 .01774 .22147 .85 .01290 .01046 .01878 .00911 .00380 .00257 .00467 |
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Ca2 .25548 .01774 .22147 .15 .01290 .01046 .01878 .00911 .00380 .00257 .00467 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinoenstatite |
|
Tribaudino M, Nestola F, Camara F, Domeneghetti M C |
|
American Mineralogist 87 (2002) 648-657 |
|
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene |
|
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior |
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Sample: dien2, T = 25 deg C |
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_database_code_amcsd 0002801 |
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9.651 8.846 5.202 90 108.38 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1A .86654 .33948 .17873 .00580 .00462 .00691 .00576 -.00039 .00148 .00063 |
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O1B .37433 .83963 .12772 .00613 .00485 .00782 .00577 .00024 .00173 -.00011 |
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O2A .12099 .50111 .32199 .00696 .00807 .00544 .00744 -.00177 .00256 .00011 |
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O2B .63185 .98529 .38213 .01077 .01096 .00879 .01507 -.00394 .00770 -.00468 |
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O3A .10514 .27488 .60177 .00895 .00587 .01133 .00964 .00057 .00245 .00488 |
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O3B .60463 .70100 .46426 .00940 .00656 .01388 .00809 .00099 .00278 .00498 |
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SiA .04237 .34128 .28684 .00476 .00442 .00493 .00526 -.00039 .00200 -.00029 |
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SiB .55077 .83808 .23258 .00481 .00489 .00454 .00537 -.00092 .00216 -.00110 |
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Mg1 .25087 .65381 .22287 .00589 .00619 .00638 .00485 .00042 .00140 .00081 |
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Mg2 .25554 .01760 .22156 .85 .01245 .01036 .01842 .00807 .00389 .00217 .00436 |
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Ca2 .25554 .01760 .22156 .15 .01245 .01036 .01842 .00807 .00389 .00217 .00436 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinoenstatite |
|
Tribaudino M, Nestola F, Camara F, Domeneghetti M C |
|
American Mineralogist 87 (2002) 648-657 |
|
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene |
|
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior |
|
Sample: dien2, T = 500 deg C |
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_database_code_amcsd 0002802 |
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9.702 8.903 5.228 90 108.58 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1A .86787 .33936 .17583 .01344 .01116 .01636 .01215 .00051 .00277 .00092 |
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O1B .37361 .84055 .12950 .01439 .01158 .01779 .01337 .00056 .00339 -.00113 |
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O2A .12166 .49977 .32593 .01669 .01970 .01221 .01864 -.00565 .00678 -.00106 |
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O2B .63063 .98561 .37802 .02159 .02271 .01862 .02613 -.00892 .01157 -.00709 |
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O3A .10420 .27096 .59479 .01976 .01449 .02546 .01936 -.00050 .00543 .00943 |
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O3B .60331 .70554 .47150 .01895 .01617 .02381 .01785 .00308 .00678 .00876 |
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SiA .04254 .34090 .28445 .01075 .01050 .01105 .01145 -.00124 .00454 -.00106 |
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SiB .54985 .83826 .23615 .01066 .01050 .01029 .01172 -.00119 .00429 -.00072 |
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Mg1 .25060 .65285 .22641 .01490 .01596 .01404 .01463 .00035 .00480 .00053 |
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Mg2 .25495 .01784 .22514 .85 .02354 .02404 .02834 .01646 .00507 .00394 .00404 |
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Ca2 .25495 .01784 .22514 .15 .02354 .02404 .02834 .01646 .00507 .00394 .00404 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinoenstatite |
|
Tribaudino M, Nestola F, Camara F, Domeneghetti M C |
|
American Mineralogist 87 (2002) 648-657 |
|
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene |
|
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior |
|
Sample: dien2, T = 650 deg C |
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_database_code_amcsd 0002803 |
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9.713 8.913 5.234 90 108.64 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1A .86807 .33954 .17543 .01717 .01259 .02205 .01565 -.00213 .00282 -.00038 |
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O1B .37321 .84096 .13015 .01491 .01344 .01662 .01427 .00024 .00386 -.00023 |
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O2A .12149 .49930 .32662 .02036 .02458 .01618 .02138 -.00751 .00883 -.00333 |
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O2B .63021 .98629 .37674 .02326 .02393 .01912 .02850 -.00742 .01085 -.00684 |
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O3A .10371 .27021 .59168 .02110 .01794 .02438 .02033 -.00114 .00521 .00996 |
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O3B .60314 .70639 .47337 .01973 .01803 .02328 .01792 .00399 .00582 .00860 |
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SiA .04250 .34052 .28366 .01172 .01182 .01240 .01091 -.00126 .00359 -.00098 |
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SiB .54963 .83857 .23700 .01133 .01181 .01040 .01178 -.00170 .00377 -.00118 |
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Mg1 .25025 .65276 .22705 .01589 .01807 .01629 .01330 .00098 .00501 .00100 |
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Mg2 .25478 .01793 .22547 .85 .02602 .02634 .03240 .01676 .00475 .00326 .00277 |
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Ca2 .25478 .01793 .22547 .15 .02602 .02634 .03240 .01676 .00475 .00326 .00277 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinoenstatite |
|
Tribaudino M, Nestola F, Camara F, Domeneghetti M C |
|
American Mineralogist 87 (2002) 648-657 |
|
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene |
|
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior |
|
Sample: dien2, T = 800 deg C |
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_database_code_amcsd 0002804 |
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9.739 8.936 5.249 90 108.80 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1A .86828 .33961 .17249 .01942 .01595 .02406 .01797 .00094 .00505 .00149 |
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O1B .37346 .84123 .13248 .01912 .01476 .02284 .01853 .00146 .00368 -.00057 |
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O2A .12164 .49858 .32875 .02349 .02631 .01887 .02612 -.00863 .00961 -.00341 |
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O2B .62975 .98637 .37552 .02678 .03137 .02224 .02992 -.00943 .01431 -.00841 |
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O3A .10313 .26764 .58800 .02651 .02048 .03486 .02415 -.00056 .00716 .01199 |
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O3B .60222 .70925 .47905 .02480 .02226 .03067 .02337 .00350 .00998 .01248 |
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SiA .04294 .34079 .28246 .01375 .01284 .01520 .01384 -.00107 .00518 -.00056 |
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SiB .54865 .83882 .23917 .01385 .01469 .01415 .01394 -.00138 .00632 -.00078 |
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Mg1 .25051 .65217 .22924 .02020 .02213 .02058 .01778 .00014 .00625 .00025 |
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Mg2 .25431 .01745 .22774 .85 .03230 .03421 .03803 .02157 .00622 .00470 .00261 |
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Ca2 .25431 .01745 .22774 .15 .03230 .03421 .03803 .02157 .00622 .00470 .00261 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Clinoenstatite |
|
Tribaudino M, Nestola F, Camara F, Domeneghetti M C |
|
American Mineralogist 87 (2002) 648-657 |
|
The high-temperature P2_1/c - C2/c phase transition in Fe-free pyroxene |
|
(Ca.15Mg1.85Si2O6): Structural and thermodynamic behavior |
|
Sample: dien2, T = 1000 deg C |
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_database_code_amcsd 0002805 |
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9.752 8.949 5.255 90 108.84 90 P2_1/c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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O1A .86862 .33890 .17197 .02075 .01655 .02735 .01874 .00345 .00625 .00100 |
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O1B .37311 .84175 .13310 .02136 .01986 .02434 .02009 .00202 .00674 .00018 |
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O2A .12226 .49844 .33087 .02613 .02956 .01942 .03102 -.00833 .01199 -.00410 |
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O2B .62858 .98692 .37344 .03082 .03185 .02848 .03628 -.01373 .01675 -.00999 |
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O3A .10324 .26674 .58704 .02842 .02092 .03935 .02482 .00030 .00715 .01704 |
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O3B .60230 .71138 .48337 .02867 .02675 .03591 .02514 .00777 .01085 .01352 |
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SiA .04317 .34038 .28182 .01524 .01501 .01670 .01515 -.00186 .00645 -.00167 |
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SiB .54817 .83878 .24048 .01576 .01547 .01633 .01619 -.00176 .00609 -.00152 |
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Mg1 .25048 .65186 .23090 .02196 .02398 .02230 .01975 -.00015 .00728 .00060 |
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Mg2 .25426 .01793 .22864 .85 .03481 .03785 .04023 .02357 .00768 .00606 .00239 |
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Ca2 .25426 .01793 .22864 .15 .03481 .03785 .04023 .02357 .00768 .00606 .00239 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Nestola F, Tribaudino M, Ballaran T B |
|
American Mineralogist 89 (2004) 189-196 |
|
High pressure behavior, transformation and crystal structure of synthetic iron-free pigeonite |
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Sample: P = 0 GPa |
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_database_code_amcsd 0003197 |
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9.646 8.842 5.201 90 108.35 90 P2_1/c |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2 .2553 .0174 .2223 .85 1.7 .0210 .0196 .0174 .0043 -.0059 .0042 |
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CaM2 .2553 .0174 .2223 .15 1.7 .0210 .0196 .0174 .0043 -.0059 .0042 |
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MgM1 .2509 .6538 .2217 .71 |
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SiTA .0424 .3409 .2873 .62 |
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SiTB .5505 .8378 .2329 .65 |
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O1A .8671 .3394 .178 .78 |
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O2A .1207 .5016 .324 .79 |
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O3A .1067 .2738 .600 .80 |
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O1B .3739 .8398 .128 .79 |
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O2B .6307 .9852 .381 1.26 |
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O3B .6047 .7009 .467 1.03 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Nestola F, Tribaudino M, Ballaran T B |
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American Mineralogist 89 (2004) 189-196 |
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High pressure behavior, transformation and crystal structure of synthetic iron-free pigeonite |
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Sample: P = 2.6 GPa |
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_database_code_amcsd 0003198 |
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9.546 8.732 5.149 90 108.12 90 P2_1/c |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2 .2562 .0196 .2202 .85 1.1 .0117 .0192 .0110 .0062 .0053 .0040 |
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CaM2 .2562 .0196 .2202 .15 1.1 .0117 .0192 .0110 .0062 .0053 .0040 |
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MgM1 .2504 .6552 .2216 .75 |
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SiTA .0422 .3415 .2862 .66 |
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SiTB .5520 .8387 .2281 .72 |
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O1A .8656 .3394 .182 .79 |
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O2A .1206 .5034 .319 .7 |
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O3A .1054 .2748 .600 1.0 |
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O1B .3735 .8383 .1265 .8 |
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O2B .6293 .9861 .382 1.3 |
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O3B .6062 .6986 .458 .9 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Nestola F, Tribaudino M, Ballaran T B |
|
American Mineralogist 89 (2004) 189-196 |
|
High pressure behavior, transformation and crystal structure of synthetic iron-free pigeonite |
|
Sample: P = 4.5 GPa |
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_database_code_amcsd 0003199 |
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9.523 8.700 5.136 90 107.80 90 P2_1/c |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2 .2562 .0204 .2179 .85 1.2 .0150 .0158 .0106 .0020 -.0012 .0052 |
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CaM2 .2562 .0204 .2179 .15 1.2 .0150 .0158 .0106 .0020 -.0012 .0052 |
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MgM1 .2514 .6559 .2192 .63 |
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SiTA .0416 .3424 .2866 .54 |
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SiTB .5516 .8381 .2289 .57 |
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O1A .865 .3401 .182 .79 |
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O2A .1194 .5051 .318 .63 |
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O3A .1076 .2756 .603 .87 |
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O1B .3752 .8389 .124 .71 |
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O2B .6321 .9871 .383 1.03 |
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O3B .6086 .6961 .455 .87 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pigeonite |
|
Nestola F, Tribaudino M, Ballaran T B |
|
American Mineralogist 89 (2004) 189-196 |
|
High pressure behavior, transformation and crystal structure of synthetic iron-free pigeonite |
|
Sample: P = 6.2 GPa |
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_database_code_amcsd 0003200 |
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9.291 8.679 4.963 90 102.22 90 C2/c |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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MgM2 0 .2789 .25 .85 .8 .0093 .0147 .0073 0 .0017 0 |
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CaM2 0 .2789 .25 .15 .8 .0093 .0147 .0073 0 .0017 0 |
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MgM1 0 .9065 .25 .55 |
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SiT .2976 .0918 .2139 .49 |
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O1 .1214 .0905 .139 .63 |
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O2 .3764 .2391 .364 .83 |
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O3 .3546 .0562 .925 .69 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Beryl |
|
Gatta G D, Nestola F, Bromiley G D, Mattauch S |
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American Mineralogist 91 (2006) 29-34 |
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The real topological configuration of the extra-framework content in |
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alkali-poor beryl: a multi-methodological study |
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Locality: Shengus, Haramosh Mts, Gilgit, Northern Areas, Pakistan |
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_database_code_amcsd 0003994 |
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9.2099 9.2099 9.1894 90 90 120 P6/mcc |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al 2/3 1/3 .25 .0029 .0018 .0018 .0052 .0009 0 0 |
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Be .5 0 .25 .0057 .0065 .0039 .0059 .0019 0 0 |
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Si .3870 .1157 0 .0032 .0035 .0029 .0042 .0023 0 0 |
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O1 .3096 .2361 0 .0079 .0075 .0074 .0119 .0059 0 0 |
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O2 .4987 .1454 .1452 .0056 .0064 .0046 .0056 .0027 -.0031 -.0016 |
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Ow 0 0 .25 .34 .071 |
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H -.0287 -.0709 .3327 .056 .04 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Analcime |
|
Gatta G D, Nestola F, Ballaran T B |
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American Mineralogist 91 (2006) 568-578 |
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Elastic behavior, phase transition, and pressure induced |
|
structural evolution of analcime |
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Locality: Su Marralzu, Sardinia, Italy |
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Sample: P = .0001 GPa in air |
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_database_code_amcsd 0004133 |
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13.7065 13.7065 13.7065 90 90 90 Ia-3d |
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atom x y z occ Uiso |
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Na .125 0 .25 .570 .036 |
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Si -.125 .16224 -.08776 .699 .0119 |
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Al -.125 .16224 -.08776 .301 .0119 |
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O -.1160 .14526 .03049 .0332 |
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Wat .125 .125 .125 .092 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Analcime |
|
Gatta G D, Nestola F, Ballaran T B |
|
American Mineralogist 91 (2006) 568-578 |
|
Elastic behavior, phase transition, and pressure induced |
|
structural evolution of analcime |
|
Locality: Su Marralzu, Sardinia, Italy |
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Sample: P = .0001 GPa in DAC |
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_database_code_amcsd 0004134 |
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13.6999 13.6999 13.6999 90 90 90 Ia-3d |
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atom x y z occ Uiso |
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Na .125 0 .25 .570 .0374 |
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Si -.125 .1616 -.0884 .699 .012 |
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Al -.125 .1616 -.0884 .301 .012 |
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O -.1148 .1459 .0306 .025 |
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Wat .125 .125 .125 .091 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Analcime |
|
Gatta G D, Nestola F, Ballaran T B |
|
American Mineralogist 91 (2006) 568-578 |
|
Elastic behavior, phase transition, and pressure induced |
|
structural evolution of analcime |
|
Locality: Su Marralzu, Sardinia, Italy |
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Sample: P = .91 GPa |
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_database_code_amcsd 0004135 |
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13.6288 13.6288 13.6288 90 90 90 Ia-3d |
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atom x y z occ Uiso |
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Na .125 0 .25 .570 .0351 |
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Si -.125 .1617 -.0882 .699 .012 |
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Al -.125 .1617 -.0882 .301 .012 |
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O -.1149 .1461 .0314 .035 |
|
Wat .125 .125 .125 .098 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Analcime |
|
Gatta G D, Nestola F, Ballaran T B |
|
American Mineralogist 91 (2006) 568-578 |
|
Elastic behavior, phase transition, and pressure induced |
|
structural evolution of analcime |
|
Locality: Su Marralzu, Sardinia, Italy |
|
Sample: P = 1.23 GPa |
|
_database_code_amcsd 0004136 |
|
13.5574 13.5119 13.5082 89.600 89.162 90.798 P-1 |
|
atom x y z occ Uiso |
|
Na1 .631 .499 .729 .570 .047 |
|
Na2 .145 .965 .274 .570 .047 |
|
Na3 .864 .484 .229 .570 .047 |
|
Na4 .588 .991 .213 .570 .047 |
|
Na5 .735 .625 .495 .570 .047 |
|
Na6 .767 .849 .997 .570 .047 |
|
Na7 .263 .860 .501 .570 .047 |
|
Na8 .763 .353 .002 .570 .047 |
|
Na9 .483 .771 .618 .570 .047 |
|
Na10 .996 .258 .121 .570 .047 |
|
Na11 .017 .742 .384 .570 .047 |
|
Na12 .492 .754 .118 .570 .047 |
|
Si1 .628 .654 .895 .699 .0023 |
|
Al1 .628 .654 .895 .301 .0023 |
|
Si2 .876 .839 .583 .699 .0023 |
|
Al2 .876 .839 .583 .301 .0023 |
|
Si3 .849 .685 .097 .699 .0023 |
|
Al3 .849 .685 .097 .301 .0023 |
|
Si4 .625 .845 .402 .699 .0023 |
|
Al4 .625 .845 .402 .301 .0023 |
|
Si5 .889 .634 .668 .699 .0023 |
|
Al5 .889 .634 .668 .301 .0023 |
|
Si6 .607 .869 .834 .699 .0023 |
|
Al6 .607 .869 .834 .301 .0023 |
|
Si7 .580 .619 .352 .699 .0023 |
|
Al7 .580 .619 .352 .301 .0023 |
|
Si8 .915 .894 .177 .699 .0023 |
|
Al8 .915 .894 .177 .301 .0023 |
|
Si9 .621 .157 .088 .699 .0023 |
|
Al9 .621 .157 .088 .301 .0023 |
|
Si10 .104 .643 .584 .699 .0023 |
|
Al10 .104 .643 .584 .301 .0023 |
|
Si11 .880 .175 .905 .699 .0023 |
|
Al11 .880 .175 .905 .301 .0023 |
|
Si12 .629 .336 .575 .699 .0023 |
|
Al12 .629 .336 .575 .301 .0023 |
|
Si13 .084 .860 .669 .699 .0023 |
|
Al13 .084 .860 .669 .301 .0023 |
|
Si14 .586 .373 .149 .699 .0023 |
|
Al14 .586 .373 .149 .301 .0023 |
|
Si15 .418 .875 .343 .699 .0023 |
|
Al15 .418 .875 .343 .301 .0023 |
|
Si16 .938 .392 .837 .699 .0023 |
|
Al16 .938 .392 .837 .301 .0023 |
|
Si17 .672 .909 .612 .699 .0023 |
|
Al17 .672 .909 .612 .301 .0023 |
|
Si18 .851 .595 .882 .699 .0023 |
|
Al18 .851 .595 .882 .301 .0023 |
|
Si19 .851 .922 .377 .699 .0023 |
|
Al19 .851 .922 .377 .301 .0023 |
|
Si20 .629 .608 .114 .699 .0023 |
|
Al20 .629 .608 .114 .301 .0023 |
|
Si21 .681 .421 .356 .699 .0023 |
|
Al21 .681 .421 .356 .301 .0023 |
|
Si22 .817 .098 .123 .699 .0023 |
|
Al22 .817 .098 .123 .301 .0023 |
|
Si23 .823 .416 .634 .699 .0023 |
|
Al23 .823 .416 .634 .301 .0023 |
|
Si24 .339 .909 .134 .699 .0023 |
|
Al24 .339 .909 .134 .301 .0023 |
|
O1 .625 .849 .713 .006 |
|
O2 .894 .659 .789 .006 |
|
O3 .926 .881 .298 .006 |
|
O4 .582 .626 .229 .006 |
|
O5 .369 .634 .738 .006 |
|
O6 .887 .151 .213 .006 |
|
O7 .107 .626 .277 .006 |
|
O8 .416 .868 .219 .006 |
|
O9 .608 .859 .525 .006 |
|
O10 .863 .667 .978 .006 |
|
O11 .894 .854 .466 .006 |
|
O12 .586 .643 .007 .006 |
|
O13 .347 .646 .544 .006 |
|
O14 .856 .154 .022 .006 |
|
O15 .120 .612 .469 .006 |
|
O16 .391 .883 .026 .006 |
|
O17 .726 .583 .884 .006 |
|
O18 .787 .908 .631 .006 |
|
O19 .745 .628 .131 .006 |
|
O20 .733 .887 .359 .006 |
|
O21 .707 .109 .155 .006 |
|
O22 .196 .584 .644 .006 |
|
O23 .778 .122 .863 .006 |
|
O24 .713 .362 .660 .006 |
|
O25 .361 .974 .380 .006 |
|
O26 .882 .479 .897 .006 |
|
O27 .859 .043 .389 .006 |
|
O28 .621 .482 .097 .006 |
|
O29 .656 .534 .389 .006 |
|
O30 .857 .986 .132 .006 |
|
O31 .815 .539 .635 .006 |
|
O32 .665 .968 .872 .006 |
|
O33 .839 .726 .608 .006 |
|
O34 .659 .772 .883 .006 |
|
O35 .622 .725 .395 .006 |
|
O36 .858 .798 .134 .006 |
|
O37 .123 .763 .606 .006 |
|
O38 .620 .279 .079 .006 |
|
O39 .591 .221 .583 .006 |
|
O40 .884 .296 .897 .006 |
|
O41 .532 .624 .826 .006 |
|
O42 .963 .872 .662 .006 |
|
O43 .062 .381 .846 .006 |
|
O44 .536 .908 .359 .006 |
|
O45 .484 .877 .853 .006 |
|
O46 .997 .604 .628 .006 |
|
O47 .031 .888 .138 .006 |
|
O48 .532 .405 .604 .006 |
|
Wat1 .603 .650 .607 .047 |
|
Wat2 .099 .079 .119 .047 |
|
Wat3 .867 .637 .369 .047 |
|
Wat4 .606 .880 .109 .047 |
|
Wat5 .385 .921 .637 .047 |
|
Wat6 .874 .359 .134 .047 |
|
Wat7 .158 .843 .357 .047 |
|
Wat8 .654 .380 .861 .047 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Analcime |
|
Gatta G D, Nestola F, Ballaran T B |
|
American Mineralogist 91 (2006) 568-578 |
|
Elastic behavior, phase transition, and pressure induced |
|
structural evolution of analcime |
|
Locality: Su Marralzu, Sardinia, Italy |
|
Sample: P = 2.12 GPa |
|
_database_code_amcsd 0004137 |
|
13.4464 13.3657 13.3449 89.691 88.152 90.034 P-1 |
|
atom x y z occ Uiso |
|
Na1 .550 .488 .717 .570 .04 |
|
Na2 .123 .978 .256 .570 .04 |
|
Na3 .855 .502 .238 .570 .04 |
|
Na4 .579 .966 .222 .570 .04 |
|
Na5 .750 .634 .498 .570 .04 |
|
Na6 .768 .861 .002 .570 .04 |
|
Na7 .266 .892 .504 .570 .04 |
|
Na8 .768 .345 .998 .570 .04 |
|
Na9 .496 .764 .621 .570 .04 |
|
Na10 .991 .268 .111 .570 .04 |
|
Na11 .030 .769 .396 .570 .04 |
|
Na12 .476 .736 .117 .570 .04 |
|
Si1 .629 .641 .903 .699 .002 |
|
Al1 .629 .641 .903 .301 .002 |
|
Si2 .877 .844 .577 .699 .002 |
|
Al2 .877 .844 .577 .301 .002 |
|
Si3 .854 .667 .101 .699 .002 |
|
Al3 .854 .667 .101 .301 .002 |
|
Si4 .640 .824 .385 .699 .002 |
|
Al4 .640 .824 .385 .301 .002 |
|
Si5 .883 .634 .663 .699 .002 |
|
Al5 .883 .634 .663 .301 .002 |
|
Si6 .612 .860 .815 .699 .002 |
|
Al6 .612 .860 .815 .301 .002 |
|
Si7 .574 .598 .348 .699 .002 |
|
Al7 .574 .598 .348 .301 .002 |
|
Si8 .906 .899 .163 .699 .002 |
|
Al8 .906 .899 .163 .301 .002 |
|
Si9 .605 .143 .082 .699 .002 |
|
Al9 .605 .143 .082 .301 .002 |
|
Si10 .112 .652 .604 .699 .002 |
|
Al10 .112 .652 .604 .301 .002 |
|
Si11 .886 .164 .919 .699 .002 |
|
Al11 .886 .164 .919 .301 .002 |
|
Si12 .636 .333 .579 .699 .002 |
|
Al12 .636 .333 .579 .301 .002 |
|
Si13 .072 .863 .659 .699 .002 |
|
Al13 .072 .863 .659 .301 .002 |
|
Si14 .594 .370 .157 .699 .002 |
|
Al14 .594 .370 .157 .301 .002 |
|
Si15 .426 .881 .335 .699 .002 |
|
Al15 .426 .881 .335 .301 .002 |
|
Si16 .951 .379 .820 .699 .002 |
|
Al16 .951 .379 .820 .301 .002 |
|
Si17 .666 .908 .607 .699 .002 |
|
Al17 .666 .908 .607 .301 .002 |
|
Si18 .853 .584 .886 .699 .002 |
|
Al18 .853 .584 .886 .301 .002 |
|
Si19 .859 .918 .368 .699 .002 |
|
Al19 .859 .918 .368 .301 .002 |
|
Si20 .628 .594 .121 .699 .002 |
|
Al20 .628 .594 .121 .301 .002 |
|
Si21 .682 .391 .362 .699 .002 |
|
Al21 .682 .391 .362 .301 .002 |
|
Si22 .818 .099 .148 .699 .002 |
|
Al22 .818 .099 .148 .301 .002 |
|
Si23 .831 .420 .621 .699 .002 |
|
Al23 .831 .420 .621 .301 .002 |
|
Si24 .319 .926 .141 .699 .002 |
|
Al24 .319 .926 .141 .301 .002 |
|
O1 .615 .837 .697 .005 |
|
O2 .885 .649 .784 .005 |
|
O3 .930 .872 .280 .005 |
|
O4 .555 .602 .226 .005 |
|
O5 .368 .664 .732 .005 |
|
O6 .894 .147 .222 .005 |
|
O7 .094 .620 .292 .005 |
|
O8 .398 .871 .215 .005 |
|
O9 .625 .848 .505 .005 |
|
O10 .888 .644 .986 .005 |
|
O11 .925 .881 .468 .005 |
|
O12 .593 .656 .021 .005 |
|
O13 .328 .682 .538 .005 |
|
O14 .856 .160 .042 .005 |
|
O15 .112 .612 .484 .005 |
|
O16 .368 .909 .026 .005 |
|
O17 .730 .571 .901 .005 |
|
O18 .784 .914 .619 .005 |
|
O19 .740 .638 .135 .005 |
|
O20 .739 .888 .343 .005 |
|
O21 .695 .116 .162 .005 |
|
O22 .195 .595 .661 .005 |
|
O23 .794 .124 .860 .005 |
|
O24 .724 .368 .654 .005 |
|
O25 .378 .981 .388 .005 |
|
O26 .904 .473 .890 .005 |
|
O27 .865 .039 .379 .005 |
|
O28 .640 .472 .105 .005 |
|
O29 .640 .503 .382 .005 |
|
O30 .838 .984 .117 .005 |
|
O31 .824 .538 .626 .005 |
|
O32 .686 .952 .847 .005 |
|
O33 .839 .727 .595 .005 |
|
O34 .654 .763 .882 .005 |
|
O35 .643 .702 .365 .005 |
|
O36 .870 .791 .111 .005 |
|
O37 .114 .771 .590 .005 |
|
O38 .606 .268 .085 .005 |
|
O39 .621 .212 .599 .005 |
|
O40 .918 .279 .887 .005 |
|
O41 .528 .611 .845 .005 |
|
O42 .952 .865 .672 .005 |
|
O43 .071 .394 .822 .005 |
|
O44 .550 .884 .329 .005 |
|
O45 .505 .893 .870 .005 |
|
O46 .005 .602 .646 .005 |
|
O47 .018 .911 .108 .005 |
|
O48 .534 .403 .584 .005 |
|
Wat1 .586 .585 .607 .04 |
|
Wat2 .099 .107 .113 .04 |
|
Wat3 .893 .623 .388 .04 |
|
Wat4 .617 .872 .087 .04 |
|
Wat5 .379 .913 .634 .04 |
|
Wat6 .884 .395 .131 .04 |
|
Wat7 .162 .843 .365 .04 |
|
Wat8 .655 .366 .863 .04 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Analcime |
|
Gatta G D, Nestola F, Ballaran T B |
|
American Mineralogist 91 (2006) 568-578 |
|
Elastic behavior, phase transition, and pressure induced |
|
structural evolution of analcime |
|
Locality: Su Marralzu, Sardinia, Italy |
|
Sample: P = 5.04 GPa |
|
_database_code_amcsd 0004138 |
|
13.1605 13.0149 13.0335 90.178 86.849 88.601 P-1 |
|
atom x y z occ Uiso |
|
Na1 .582 .453 .755 .570 .04 |
|
Na2 .134 .007 .245 .570 .04 |
|
Na3 .906 .504 .215 .570 .04 |
|
Na4 .653 .985 .196 .570 .04 |
|
Na5 .750 .627 .504 .570 .04 |
|
Na6 .759 .875 .998 .570 .04 |
|
Na7 .267 .867 .500 .570 .04 |
|
Na8 .766 .384 .997 .570 .04 |
|
Na9 .496 .746 .605 .570 .04 |
|
Na10 .983 .269 .113 .570 .04 |
|
Na11 .037 .745 .389 .570 .04 |
|
Na12 .475 .737 .096 .570 .04 |
|
Si1 .632 .636 .904 .699 .002 |
|
Al1 .632 .636 .904 .301 .002 |
|
Si2 .876 .847 .575 .699 .002 |
|
Al2 .876 .847 .575 .301 .002 |
|
Si3 .839 .691 .107 .699 .002 |
|
Al3 .839 .691 .107 .301 .002 |
|
Si4 .640 .831 .378 .699 .002 |
|
Al4 .640 .831 .378 .301 .002 |
|
Si5 .878 .626 .672 .699 .002 |
|
Al5 .878 .626 .672 .301 .002 |
|
Si6 .624 .837 .811 .699 .002 |
|
Al6 .624 .837 .811 .301 .002 |
|
Si7 .574 .599 .356 .699 .002 |
|
Al7 .574 .599 .356 .301 .002 |
|
Si8 .907 .907 .153 .699 .002 |
|
Al8 .907 .907 .153 .301 .002 |
|
Si9 .602 .149 .088 .699 .002 |
|
Al9 .602 .149 .088 .301 .002 |
|
Si10 .112 .622 .606 .699 .002 |
|
Al10 .112 .622 .606 .301 .002 |
|
Si11 .883 .171 .926 .699 .002 |
|
Al11 .883 .171 .926 .301 .002 |
|
Si12 .637 .317 .578 .699 .002 |
|
Al12 .637 .317 .578 .301 .002 |
|
Si13 .079 .864 .642 .699 .002 |
|
Al13 .079 .864 .642 .301 .002 |
|
Si14 .579 .360 .166 .699 .002 |
|
Al14 .579 .360 .166 .301 .002 |
|
Si15 .434 .881 .319 .699 .002 |
|
Al15 .434 .881 .319 .301 .002 |
|
Si16 .959 .382 .808 .699 .002 |
|
Al16 .959 .382 .808 .301 .002 |
|
Si17 .642 .903 .599 .699 .002 |
|
Al17 .642 .903 .599 .301 .002 |
|
Si18 .841 .586 .891 .699 .002 |
|
Al18 .841 .586 .891 .301 .002 |
|
Si19 .863 .918 .368 .699 .002 |
|
Al19 .863 .918 .368 .301 .002 |
|
Si20 .622 .582 .129 .699 .002 |
|
Al20 .622 .582 .129 .301 .002 |
|
Si21 .681 .387 .365 .699 .002 |
|
Al21 .681 .387 .365 .301 .002 |
|
Si22 .807 .137 .157 .699 .002 |
|
Al22 .807 .137 .157 .301 .002 |
|
Si23 .829 .416 .624 .699 .002 |
|
Al23 .829 .416 .624 .301 .002 |
|
Si24 .312 .939 .134 .699 .002 |
|
Al24 .312 .939 .134 .301 .002 |
|
O1 .629 .818 .687 .004 |
|
O2 .894 .658 .795 .004 |
|
O3 .938 .885 .270 .004 |
|
O4 .546 .596 .235 .004 |
|
O5 .374 .671 .724 .004 |
|
O6 .897 .165 .236 .004 |
|
O7 .083 .633 .309 .004 |
|
O8 .387 .871 .207 .004 |
|
O9 .606 .859 .492 .004 |
|
O10 .882 .652 .992 .004 |
|
O11 .912 .835 .449 .004 |
|
O12 .572 .624 .023 .004 |
|
O13 .314 .696 .542 .004 |
|
O14 .840 .191 .044 .004 |
|
O15 .130 .568 .494 .004 |
|
O16 .357 .909 .019 .004 |
|
O17 .724 .553 .891 .004 |
|
O18 .770 .917 .587 .004 |
|
O19 .732 .637 .145 .004 |
|
O20 .750 .877 .335 .004 |
|
O21 .685 .138 .179 .004 |
|
O22 .201 .587 .672 .004 |
|
O23 .803 .105 .867 .004 |
|
O24 .723 .358 .652 .004 |
|
O25 .402 .988 .380 .004 |
|
O26 .925 .489 .871 .004 |
|
O27 .853 .040 .402 .004 |
|
O28 .642 .459 .120 .004 |
|
O29 .642 .504 .399 .004 |
|
O30 .837 .011 .142 .004 |
|
O31 .804 .532 .669 .004 |
|
O32 .694 .938 .836 .004 |
|
O33 .848 .733 .617 .004 |
|
O34 .673 .754 .893 .004 |
|
O35 .645 .704 .364 .004 |
|
O36 .841 .816 .105 .004 |
|
O37 .093 .749 .591 .004 |
|
O38 .597 .277 .066 .004 |
|
O39 .626 .195 .601 .004 |
|
O40 .914 .286 .881 .004 |
|
O41 .544 .614 .824 .004 |
|
O42 .962 .905 .642 .004 |
|
O43 .081 .345 .805 .004 |
|
O44 .561 .885 .298 .004 |
|
O45 .503 .875 .848 .004 |
|
O46 .994 .575 .645 .004 |
|
O47 .015 .907 .080 .004 |
|
O48 .532 .383 .576 .004 |
|
Wat1 .590 .582 .616 .04 |
|
Wat2 .089 .121 .099 .04 |
|
Wat3 .911 .605 .402 .04 |
|
Wat4 .614 .860 .081 .04 |
|
Wat5 .393 .909 .635 .04 |
|
Wat6 .889 .406 .116 .04 |
|
Wat7 .159 .856 .373 .04 |
|
Wat8 .658 .334 .861 .04 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Nestola F, Gatta G D, Ballaran T B |
|
American Mineralogist 91 (2006) 809-815 |
|
The effect of Ca substitution on the elastic and |
|
structural behavior of orthoenstatite |
|
Locality: synthetic sample |
|
Sample: P = 0.0001 GPa |
|
_database_code_amcsd 0004153 |
|
18.2588 8.8229 5.1899 90 90 90 Pbca |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2 .37693 .48481 .36233 .93 .0102 .0098 .0122 .0085 -.0026 -.0016 -.0016 |
|
CaM2 .37693 .48481 .36233 .07 .0102 .0098 .0122 .0085 -.0026 -.0016 -.0016 |
|
MgM1 .37569 .65408 .8681 .0067 .0074 .0067 .0061 -.0000 -.0007 .0004 |
|
SiA .27146 .34153 .04929 .0055 |
|
SiB .47419 .33778 .7968 .0055 |
|
O1A .18349 .3397 .0365 .0067 |
|
O2A .31076 .5022 .0436 .0082 |
|
O3A .30291 .2246 .8286 .0088 |
|
O1B .56276 .3400 .7987 .0069 |
|
O2B .43337 .4842 .6921 .0100 |
|
O3B .44767 .1986 .5991 .0086 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Nestola F, Gatta G D, Ballaran T B |
|
American Mineralogist 91 (2006) 809-815 |
|
The effect of Ca substitution on the elastic and |
|
structural behavior of orthoenstatite |
|
Locality: synthetic sample |
|
Sample: P = 1.76 GPa |
|
_database_code_amcsd 0004154 |
|
18.201 8.768 5.154 90 90 90 Pbca |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2 .3768 .4829 .3597 .93 .014 .012 .013 .016 -.003 -.004 -.005 |
|
CaM2 .3768 .4829 .3597 .07 .014 .012 .013 .016 -.003 -.004 -.005 |
|
MgM1 .3762 .6560 .8650 .007 .008 .005 .009 .002 -.001 -.000 |
|
SiA .2710 .3411 .0448 .0064 |
|
SiB .4740 .3376 .7999 .0064 |
|
O1A .1830 .3406 .0340 .005 |
|
O2A .3102 .5041 .0368 .007 |
|
O3A .3035 .2255 .8270 .005 |
|
O1B .5619 .3396 .8023 .010 |
|
O2B .4337 .4864 .6852 .009 |
|
O3B .4472 .1970 .6067 .009 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Nestola F, Gatta G D, Ballaran T B |
|
American Mineralogist 91 (2006) 809-815 |
|
The effect of Ca substitution on the elastic and |
|
structural behavior of orthoenstatite |
|
Locality: synthetic sample |
|
Sample: P = 3.36 GPa |
|
_database_code_amcsd 0004155 |
|
18.093 8.750 5.127 90 90 90 Pbca |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2 .3772 .4823 .3548 .93 .010 .008 .013 .009 -.003 .001 -.006 |
|
CaM2 .3772 .4823 .3548 .07 .010 .008 .013 .009 -.003 .001 -.006 |
|
MgM1 .3758 .6558 .8619 .008 .006 .009 .007 -.001 -.00 .004 |
|
SiA .2710 .3427 .0428 .0057 |
|
SiB .4736 .3382 .8019 .0070 |
|
O1A .1824 .3398 .0278 .007 |
|
O2A .3099 .5042 .0344 .009 |
|
O3A .3030 .2255 .8201 .007 |
|
O1B .5625 .3396 .8059 .010 |
|
O2B .4337 .4846 .6886 .006 |
|
O3B .4467 .1945 .6052 .010 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Nestola F, Gatta G D, Ballaran T B |
|
American Mineralogist 91 (2006) 809-815 |
|
The effect of Ca substitution on the elastic and |
|
structural behavior of orthoenstatite |
|
Locality: synthetic sample |
|
Sample: P = 3.94 GPa |
|
_database_code_amcsd 0004156 |
|
18.108 8.7215 5.120 90 90 90 Pbca |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2 .3772 .4828 .3549 .93 .0112 .004 .013 .016 .004 -.002 -.003 |
|
CaM2 .3772 .4828 .3549 .07 .0112 .004 .013 .016 .004 -.002 -.003 |
|
MgM1 .3761 .6564 .8616 .0079 .004 .006 .013 -.004 -.000 .002 |
|
SiA .2711 .3423 .0408 .0054 |
|
SiB .4739 .3388 .8008 .0061 |
|
O1A .1826 .3409 .0298 .009 |
|
O2A .3097 .5068 .0371 .008 |
|
O3A .3036 .2258 .8208 .006 |
|
O1B .5618 .3396 .8011 .007 |
|
O2B .4327 .4856 .6908 .008 |
|
O3B .4459 .1942 .6057 .006 |
|
|
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View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Nestola F, Gatta G D, Ballaran T B |
|
American Mineralogist 91 (2006) 809-815 |
|
The effect of Ca substitution on the elastic and |
|
structural behavior of orthoenstatite |
|
Locality: synthetic sample |
|
Sample: P = 6.25 GPa |
|
_database_code_amcsd 0004157 |
|
18.022 8.6578 5.085 90 90 90 Pbca |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2 .3779 .4811 .3530 .93 .012 .009 .012 .014 .001 .003 -.005 |
|
CaM2 .3779 .4811 .3530 .07 .012 .009 .012 .014 .001 .003 -.005 |
|
MgM1 .3762 .6566 .8576 .007 .008 .006 .006 -.001 -.003 .005 |
|
SiA .2705 .3437 .0376 .0051 |
|
SiB .4736 .3382 .8042 .0064 |
|
O1A .1821 .3407 .0237 .007 |
|
O2A .3092 .5057 .0355 .003 |
|
O3A .3035 .2218 .8147 .008 |
|
O1B .5628 .3395 .8134 .010 |
|
O2B .4332 .4847 .6861 .006 |
|
O3B .4458 .1917 .6085 .013 |
|
|
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|
| |
|
Topaz |
|
Diego Gatta G, Nestola F, Bromiley G D, Loose A |
|
American Mineralogist 91 (2006) 1839-1846 |
|
New insight into crystal chemistry of topaz: a multi-methodological study |
|
Locality: Ouro Preto, Minas Gerias, Brazil |
|
Sample: X-ray refinement at T = 298 K |
|
Note: x(F4) corrected |
|
_database_code_amcsd 0004243 |
|
4.6601 8.8260 8.3778 90 90 90 Pbnm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al .9053 .13131 .0816 .0039 .0034 .0040 .00436 .00008 -.00010 .00008 |
|
Si .39976 .94088 .25 .0033 .0027 .0036 .0038 .0001 0 0 |
|
O1 .7064 .0311 .25 .005 .0041 .0054 .0054 .0017 0 0 |
|
O2 .4516 .7564 .25 .0049 .0059 .0037 .0050 .0009 0 0 |
|
O3 .2114 .98979 .09284 .0047 .0046 .0047 .0047 .0007 -.0011 -.0003 |
|
F4 .5982 .25263 .05988 .0083 .0075 .0084 .0089 -.0023 .0005 .0013 |
|
|
| Download AMC data (View Text File)
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|
| |
|
Topaz |
|
Diego Gatta G, Nestola F, Bromiley G D, Loose A |
|
American Mineralogist 91 (2006) 1839-1846 |
|
New insight into crystal chemistry of topaz: a multi-methodological study |
|
Locality: Ouro Preto, Minas Gerias, Brazil |
|
Sample: Neutron refinement at T = 298 K |
|
_database_code_amcsd 0004244 |
|
4.667 8.834 8.395 90 90 90 Pbnm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al .9051 .13123 .0817 .0037 .0037 .0026 .0048 .0002 -.00001 .0002 |
|
Si .3996 .94088 .25 .0030 .0026 .0020 .0045 .0003 0 0 |
|
O1 .7059 .03129 .25 .0045 .0038 .0041 .0054 -.0011 0 0 |
|
O2 .4529 .75627 .25 .0046 .0055 .0026 .0057 .0008 0 0 |
|
O3 .2114 .98961 .09270 .0045 .0043 .0037 .0054 .0008 -.0011 -.0002 |
|
F4 .5976 .25265 .05971 .78 .0067 .0060 .0056 .0084 .0022 -.0008 .0010 |
|
O4 .5976 .25265 .05971 .22 .0067 .0060 .0056 .0084 .0022 -.0008 .0010 |
|
H4 .495 .252 .1629 .22 .037 .041 .049 .019 .026 .015 .014 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Topaz |
|
Diego Gatta G, Nestola F, Bromiley G D, Loose A |
|
American Mineralogist 91 (2006) 1839-1846 |
|
New insight into crystal chemistry of topaz: a multi-methodological study |
|
Locality: Ouro Preto, Minas Gerias, Brazil |
|
Sample: Neutron refinement at T = 10 K |
|
_database_code_amcsd 0004245 |
|
4.657 8.838 8.426 90 90 90 Pbnm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al .9056 .1313 .0817 .0029 .0028 .0013 .00472 .0003 -.0005 .0006 |
|
Si .3996 .9409 .25 .0027 .0018 .0011 .0052 .0003 0 0 |
|
O1 .7069 .0312 .25 .0038 .0039 .0026 .0050 -.0004 0 0 |
|
O2 .4528 .7562 .25 .0039 .0042 .0014 .0062 .0012 0 0 |
|
O3 .2117 .9899 .0926 .0037 .0031 .0020 .0061 .0006 -.0006 .0001 |
|
F4 .5973 .2525 .05992 .79 .0047 .0040 .0028 .0072 .0008 -.0003 -.0001 |
|
O4 .5973 .2525 .05992 .21 .0047 .0040 .0028 .0072 .0008 -.0003 -.0001 |
|
H4 .492 .251 .1637 .21 .025 .027 .027 .022 .010 .015 .008 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
NaGaSi2O6 |
| |
Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H, |
|
Redhammer G J |
| |
American Mineralogist 92 (2007) 560-569 |
|
Low-temperature behavior of NaGaSi2O6 |
|
Sample: T = 295 K |
|
_database_code_amcsd 0004307 |
|
9.5531 8.6983 5.2684 90 107.629 90 C2/c |
|
atom x y z Uiso |
|
Na 0 .30038 .25 .0108 |
|
Ga 0 .90189 .25 .00348 |
|
Si .29116 .09112 .23220 .00314 |
|
O1 .11188 .07804 .13365 .0044 |
|
O2 .35874 .25894 .30170 .0062 |
|
O3 .35265 .00957 .00787 .0055 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
NaGaSi2O6 |
| |
Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H, |
|
Redhammer G J |
| |
American Mineralogist 92 (2007) 560-569 |
|
Low-temperature behavior of NaGaSi2O6 |
|
Sample: T = 235 K |
|
_database_code_amcsd 0004308 |
|
9.5494 8.6924 5.2673 90 107.631 90 C2/c |
|
atom x y z Uiso |
|
Na 0 .30046 .25 .0090 |
|
Ga 0 .90210 .25 .00294 |
|
Si .29119 .09122 .23236 .00274 |
|
O1 .11199 .07797 .13373 .0037 |
|
O2 .35868 .25913 .30187 .0053 |
|
O3 .35284 .00984 .00773 .0048 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
NaGaSi2O6 |
| |
Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H, |
|
Redhammer G J |
| |
American Mineralogist 92 (2007) 560-569 |
|
Low-temperature behavior of NaGaSi2O6 |
|
Sample: T = 190 K |
|
_database_code_amcsd 0004309 |
|
9.5472 8.6894 5.2667 90 107.632 90 C2/c |
|
atom x y z Uiso |
|
Na 0 .30051 .25 .0074 |
|
Ga 0 .90219 .25 .00244 |
|
Si .29119 .09127 .23241 .00237 |
|
O1 .11191 .07803 .13350 .0032 |
|
O2 .35878 .25935 .30219 .0046 |
|
O3 .35285 .00980 .00769 .0041 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
NaGaSi2O6 |
| |
Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H, |
|
Redhammer G J |
| |
American Mineralogist 92 (2007) 560-569 |
|
Low-temperature behavior of NaGaSi2O6 |
|
Sample: T = 145 K |
|
_database_code_amcsd 0004310 |
|
9.5453 8.6864 5.2662 90 107.630 90 C2/c |
|
atom x y z Uiso |
|
Na 0 .30047 .25 .0062 |
|
Ga 0 .90232 .25 .00201 |
|
Si .29121 .09129 .23263 .00206 |
|
O1 .11187 .07812 .13369 .0030 |
|
O2 .35880 .25936 .30240 .0039 |
|
O3 .35303 .00986 .00795 .0036 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
NaGaSi2O6 |
| |
Nestola F, Rotiroti N, Bruno M, Tribaudino M, van Smaalen S, Ohashi H, |
|
Redhammer G J |
| |
American Mineralogist 92 (2007) 560-569 |
|
Low-temperature behavior of NaGaSi2O6 |
|
Sample: T = 110 K |
|
_database_code_amcsd 0004311 |
|
9.5442 8.6849 5.2662 90 107.628 90 C2/c |
|
atom x y z Uiso |
|
Na 0 .30058 .25 .0052 |
|
Ga 0 .90238 .25 .00163 |
|
Si .29125 .09128 .23264 .00183 |
|
O1 .11190 .07820 .13385 .00276 |
|
O2 .35882 .25945 .30267 .0034 |
|
O3 .35297 .00994 .00775 .0032 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Enstatite |
|
Smyth J R, Mierdel K, Keppler H, Langenhorst F, Dubrovinsky L, Nestola F |
| |
American Mineralogist 92 (2007) 973-976 |
|
Crystal chemistry of hydration in aluminous orthopyroxene |
|
Locality: synthetic |
|
_database_code_amcsd 0004362 |
|
18.1876 8.7352 5.1789 90 90 90 Pbca |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
MgM2 .37904 .48367 .35223 .958 .0086 .0104 .0101 .0054 -.0012 -.0020 .0000 |
|
MgM1 .37604 .65378 .86086 .79 .0061 .0062 .0080 .0042 -.0001 -.0009 -.0002 |
|
AlM1 .37604 .65378 .86086 .21 .0061 .0062 .0080 .0042 -.0001 -.0009 -.0002 |
|
Si1 .27135 .34230 .04527 .0058 .0056 .0080 .0039 -.0006 -.0001 .0002 |
|
Si2 .47307 .33717 .80610 .75 .0075 .0068 .0097 .0060 .0001 .0002 .0004 |
|
Al2 .47307 .33717 .80610 .25 .0075 .0068 .0097 .0060 .0001 .0002 .0004 |
|
O1a .18267 .3391 .0325 .0082 .0057 .0117 .0072 -.0012 -.0010 .0016 |
|
O2a .31066 .5049 .0380 .0082 .0084 .0102 .0061 -.0020 -.0005 .0002 |
|
O3a .30260 .2233 -.1737 .0083 .0079 .0121 .0051 -.0003 .0001 -.0017 |
|
O1b .56356 .3374 .8088 .0090 .0077 .0114 .0079 -.0008 .0016 .0020 |
|
O2b .43269 .4854 .6889 .0093 .0091 .0132 .0055 -.0017 -.0011 .0004 |
|
O3b .44653 .1910 .6142 .0093 .0079 .0108 .0092 .0002 .0010 -.0023 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca.2Sr.8Al2Si2O8 |
| |
Benna P, Nestola F, Ballaran T B, Balic-Zunic T, Lundegaard L F, Bruno E |
|
American Mineralogist 92 (2007) 1190-1199 |
|
The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar: |
|
The I-1-I2/c and I2/c-P2_1/c phase transitions |
|
Sample: P = 0.0001 GPa |
|
_database_code_amcsd 0004407 |
|
8.370 12.967 14.262 90.58 115.55 90.44 I-1 |
|
atom x y z occ Uiso |
|
Ca0 .2691 .0001 .0669 .2 .015 |
|
Sr0 .2691 .0001 .0669 .8 .015 |
|
Caz .2676 .0064 .5636 .2 .009 |
|
Srz .2676 .0064 .5636 .8 .009 |
|
Si100 .0070 .1710 .1070 .008 |
|
Al10z .0023 .1759 .6156 .009 |
|
Al1m0 .0030 .8182 .1179 .009 |
|
Si1mz .0062 .8246 .6088 .011 |
|
Al200 .6920 .1197 .1675 .009 |
|
Si20z .6827 .1124 .6687 .012 |
|
Si2m0 .6839 .8847 .1745 .011 |
|
Al2mz .6933 .8792 .6722 .010 |
|
OA10 .0069 .1305 .9998 .015 |
|
OA1z .9948 .1283 .4969 .015 |
|
OA20 .5885 .9997 .1420 .017 |
|
OA2z .5875 .0002 .6414 .012 |
|
OB00 .8260 .1224 .1011 .014 |
|
OB0z .8078 .1189 .6073 .015 |
|
OBm0 .8071 .8698 .1151 .019 |
|
OBmz .8263 .8658 .6077 .015 |
|
OC00 .0162 .2951 .1241 .020 |
|
OC0z .0188 .3081 .6372 .020 |
|
OCm0 .0137 .6886 .1248 .021 |
|
OCmz .0094 .6979 .6119 .015 |
|
OD00 .1856 .1182 .1939 .016 |
|
OD0z .1973 .1093 .7004 .020 |
|
ODm0 .1976 .8779 .2070 .012 |
|
ODmz .1871 .8716 .6986 .018 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca.2Sr.8Al2Si2O8 |
| |
Benna P, Nestola F, Ballaran T B, Balic-Zunic T, Lundegaard L F, Bruno E |
|
American Mineralogist 92 (2007) 1190-1199 |
|
The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar: |
|
The I-1-I2/c and I2/c-P2_1/c phase transitions |
|
Sample: P = 3.2 GPa |
|
_database_code_amcsd 0004408 |
|
8.256 12.842 14.088 90.51 115.38 90.88 I-1 |
|
atom x y z occ Uiso |
|
Ca0 .2675 .0033 .0674 .2 .019 |
|
Sr0 .2675 .0033 .0674 .8 .019 |
|
Caz .2662 .0059 .5645 .2 .013 |
|
Srz .2662 .0059 .5645 .8 .013 |
|
Si100 .0023 .1691 .1061 .010 |
|
Al10z .9992 .1725 .6154 .009 |
|
Al1m0 .9985 .8182 .1176 .011 |
|
Si1mz .0016 .8193 .6084 .009 |
|
Al200 .6881 .1198 .1674 .010 |
|
Si20z .6790 .1105 .6678 .011 |
|
Si2m0 .6793 .8841 .1751 .010 |
|
Al2mz .6883 .8765 .6724 .010 |
|
OA10 .0031 .1260 .9972 .013 |
|
OA1z .9964 .1336 .4981 .014 |
|
OA20 .5829 .9929 .1433 .019 |
|
OA2z .5829 .9972 .6450 .018 |
|
OB00 .8209 .1125 .0991 .019 |
|
OB0z .7996 .1188 .6028 .017 |
|
OBm0 .8018 .8642 .1127 .017 |
|
OBmz .8210 .8674 .6068 .017 |
|
OC00 .0043 .2967 .1214 .012 |
|
OC0z .0116 .3035 .6397 .017 |
|
OCm0 .0072 .6864 .1228 .019 |
|
OCmz .9987 .6913 .6116 .018 |
|
OD00 .1860 .1209 .1925 .015 |
|
OD0z .1966 .1167 .7001 .018 |
|
ODm0 .1977 .8768 .2084 .017 |
|
ODmz .1877 .8713 .6994 .017 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ca.2Sr.8Al2Si2O8 |
| |
Benna P, Nestola F, Ballaran T B, Balic-Zunic T, Lundegaard L F, Bruno E |
|
American Mineralogist 92 (2007) 1190-1199 |
|
The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar: |
|
The I-1-I2/c and I2/c-P2_1/c phase transitions |
|
Sample: P = 4.4 GPa |
|
_database_code_amcsd 0004409 |
|
8.209 12.780 14.009 90 115.27 90 I2/c |
|
atom x y z occ Uiso |
|
Ca .2672 -.0005 .0671 .2 .029 |
|
Sr .2672 -.0005 .0671 .8 .029 |
|
Si10 .9993 .1743 .1071 .037 |
|
Al1z .9964 .1785 .6169 .033 |
|
Al20 .6870 .1198 .1703 .035 |
|
Si2z .6794 .1125 .6721 .036 |
|
OA1 .0019 .1267 .9978 .038 |
|
OA2 .5857 .9950 .1473 .046 |
|
OB0 .8185 .1205 .1025 .042 |
|
OBz .7976 .1255 .6075 .044 |
|
OC0 .0012 .3004 .1177 .047 |
|
OCz .0051 .3135 .6311 .056 |
|
OD0 .1864 .1248 .1975 .047 |
|
ODz .1932 .1207 .7052 .048 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Ca.2Sr.8Al2Si2O8 |
| |
Benna P, Nestola F, Ballaran T B, Balic-Zunic T, Lundegaard L F, Bruno E |
|
American Mineralogist 92 (2007) 1190-1199 |
|
The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar: |
|
The I-1-I2/c and I2/c-P2_1/c phase transitions |
|
Sample: P = 6.2 GPa |
|
_database_code_amcsd 0004410 |
|
8.128 12.671 13.866 90 114.98 90 I2/c |
|
atom x y z occ Uiso |
|
Ca .2654 .0009 .0685 .2 .043 |
|
Sr .2654 .0009 .0685 .8 .043 |
|
Si10 .9955 .1773 .1070 .044 |
|
Al1z .9933 .1755 .6176 .043 |
|
Al20 .6844 .1243 .1707 .041 |
|
Si2z .6748 .1131 .6720 .044 |
|
OA1 .0027 .1293 .9981 .034 |
|
OA2 .5812 .0033 .1482 .055 |
|
OB0 .8186 .1180 .1045 .060 |
|
OBz .7940 .1171 .6048 .054 |
|
OC0 .9884 .3034 .1141 .054 |
|
OCz .9955 .3115 .6267 .055 |
|
OD0 .1832 .1249 .1943 .054 |
|
ODz .1915 .1171 .7020 .056 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ca.2Sr.8Al2Si2O8 |
| |
Benna P, Nestola F, Ballaran T B, Balic-Zunic T, Lundegaard L F, Bruno E |
|
American Mineralogist 92 (2007) 1190-1199 |
|
The high-pressure structural configurations of Ca0.2Sr0.8Al2Si2O8 feldspar: |
|
The I-1-I2/c and I2/c-P2_1/c phase transitions |
|
Sample: P = 7.4 GPa |
|
_database_code_amcsd 0004411 |
|
8.116 12.410 13.728 90 114.19 90 P2_1/c |
|
atom x y z occ Uiso |
|
Ca0 .5393 .2571 .3142 .2 .015 |
|
Sr0 .5393 .2571 .3142 .8 .015 |
|
Cai .0120 .7417 .8229 .2 .015 |
|
Sri .0120 .7417 .8229 .8 .015 |
|
Si100 .2475 .4267 .3635 .012 |
|
Si10i .7281 .9395 .8447 .012 |
|
Al1z0 .2520 .4135 .8732 .014 |
|
Al1zi .7399 .9518 .3602 .010 |
|
Al200 .9410 .3890 .4291 .011 |
|
Al20i .4274 .8679 .9164 .011 |
|
Si2z0 .9393 .3521 .9351 .012 |
|
Si2zi .4207 .8726 .4235 .012 |
|
OA10 .2652 .3856 .2532 .013 |
|
OA1i .7568 .8757 .7506 .019 |
|
OA20 .8621 .2711 .4515 .025 |
|
OA2i .3275 .7406 .8725 .023 |
|
OB00 .0638 .3729 .3516 .019 |
|
OB0i .5478 .8832 .8410 .027 |
|
OBz0 .0571 .3506 .8671 .023 |
|
OBzi .5575 .8982 .3700 .027 |
|
OC00 .2373 .5578 .3785 .021 |
|
OC0i .7217 .0710 .8394 .029 |
|
OCz0 .2521 .5498 .8946 .025 |
|
OCzi .7545 .0951 .3674 .018 |
|
OD00 .4333 .3764 .4524 .025 |
|
OD0i .9077 .9128 .9466 .039 |
|
ODz0 .4647 .3613 .9510 .018 |
|
ODzi .9423 .8911 .4473 .018 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Jadeite |
|
Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M |
|
American Mineralogist 92 (2007) 1492-1501 |
|
The crystal structures of pyroxenes along the jadeite - hedenbergite and |
|
jadeite - aegirine joins |
|
Locality: synthetic |
|
Sample: Jd100Ae0 |
|
_database_code_amcsd 0004445 |
|
9.4278 8.5651 5.2262 90 107.624 90 C2/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaM2 0 .3002 .25 .0108 .0146 .0075 .0090 0 -.0006 0 |
|
AlM1 0 .90604 .25 .0043 .0048 .0044 .0042 0 .0012 0 |
|
SiT .29072 .09342 .22822 .00383 .0039 .0040 .0041 -.0003 .0010 -.0004 |
|
O1 .1092 .0760 .1284 .0049 .0043 .0053 .0054 -.0004 .0009 -.0003 |
|
O2 .3610 .2634 .2935 .0070 .0076 .0052 .0084 -.0020 .0022 -.0004 |
|
O3 .3536 .0071 .0067 .0065 .0059 .0083 .0059 .0006 .0013 -.0025 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Jadeite |
|
Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M |
|
American Mineralogist 92 (2007) 1492-1501 |
|
The crystal structures of pyroxenes along the jadeite - hedenbergite and |
|
jadeite - aegirine joins |
|
Locality: synthetic |
|
Sample: Jd74Ae26 |
|
_database_code_amcsd 0004446 |
|
9.4781 8.6180 5.2449 90 107.570 90 C2/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaM2 0 .30029 .25 .0114 .0143 .0076 .0094 0 -.0008 0 |
|
AlM1 0 .90369 .25 .74 .00494 .0050 .0047 .0050 0 .0012 0 |
|
Fe3+M1 0 .90369 .25 .26 .00494 .0050 .0047 .0050 0 .0012 0 |
|
SiT .29055 .09232 .22978 .00443 .0042 .0046 .0045 -.00024 .00125 -.00023 |
|
O1 .11032 .07663 .1303 .0063 .0046 .0069 .0070 .0001 .0014 -.0001 |
|
O2 .36029 .26139 .2952 .0078 .0094 .0052 .0085 -.0019 .0027 -.0007 |
|
O3 .35324 .00755 .0075 .0068 .0062 .0085 .0057 .0001 .0019 -.0021 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Aegirine |
|
Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M |
|
American Mineralogist 92 (2007) 1492-1501 |
|
The crystal structures of pyroxenes along the jadeite - hedenbergite and |
|
jadeite - aegirine joins |
|
Locality: synthetic |
|
Sample: Jd35Ae65 |
|
_database_code_amcsd 0004447 |
|
9.5663 8.7040 5.2733 90 107.600 90 C2/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaM2 0 .29844 .25 .0118 .0140 .0095 .0086 0 -.0014 0 |
|
AlM1 0 .90134 .25 .35 .00542 .0053 .0053 .0054 0 .00117 0 |
|
Fe3+M1 0 .90134 .25 .65 .00542 .0053 .0053 .0054 0 .00117 0 |
|
SiT .29075 .09083 .23362 .00500 .0046 .0053 .0051 -.00007 .00150 -.00021 |
|
O1 .11233 .07785 .1345 .0078 .0052 .0086 .0094 .0006 .0018 -.0002 |
|
O2 .35929 .25862 .2992 .0096 .0118 .0061 .0109 -.0020 .0033 -.0010 |
|
O3 .35289 .00802 .0111 .0078 .0065 .0104 .0064 .0008 .0018 -.0021 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Aegirine |
|
Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M |
|
American Mineralogist 92 (2007) 1492-1501 |
|
The crystal structures of pyroxenes along the jadeite - hedenbergite and |
|
jadeite - aegirine joins |
|
Locality: synthetic |
|
Sample: Jd0Ae100 |
|
_database_code_amcsd 0004448 |
|
9.6623 8.8000 5.2956 90 107.579 90 C2/c |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaM2 0 .2961 .25 .0116 .0132 .0125 .0062 0 -.0031 .0000 |
|
Fe3+M1 0 .89921 .25 .0049 .0052 .0046 .0051 0 .00039 0 |
|
SiT .29115 .08942 .23765 .0049 .0046 .0047 .0054 -.0006 .0006 -.00022 |
|
O1 .1146 .0789 .1393 .0067 .0052 .0080 .0070 -.0001 .0006 .0011 |
|
O2 .3591 .2556 .3032 .0097 .0107 .0063 .0125 -.0033 .0033 -.0014 |
|
O3 .3526 .0080 .0146 .0079 .0068 .0107 .0063 .000 .0009 -.0029 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Jadeite |
|
Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M |
|
American Mineralogist 92 (2007) 1492-1501 |
|
The crystal structures of pyroxenes along the jadeite - hedenbergite and |
|
jadeite - aegirine joins |
|
Locality: synthetic |
|
Sample: Jd53Hd47 |
|
_database_code_amcsd 0004449 |
|
9.6031 8.7735 5.2656 90 106.725 90 C2/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaM2 0 .30094 .25 .53 .0124 .0165 .0093 .0090 0 -.0001 0 |
|
CaM2 0 .30094 .25 .47 .0124 .0165 .0093 .0090 0 -.0001 0 |
|
FeM2' 0 .257 .25 .03 .007 |
|
AlM1 0 .90504 .25 .52 .0074 .0075 .0080 .0065 0 .0019 0 |
|
Fe2+M1 0 .90504 .25 .48 .0074 .0075 .0080 .0065 0 .0019 0 |
|
SiT .28845 .09209 .22982 .0066 .0068 .0077 .0056 .0003 .0025 -.0011 |
|
O1 .1126 .0808 .1366 .0143 .0069 .0191 .0168 .0024 .0030 -.0046 |
|
O2 .3600 .2554 .3079 .0131 .0190 .0095 .0102 -.0004 .0032 -.0012 |
|
O3 .3518 .0133 .0013 .0098 .0090 .0128 .0080 .0010 .0033 -.0022 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M |
|
American Mineralogist 92 (2007) 1492-1501 |
|
The crystal structures of pyroxenes along the jadeite - hedenbergite and |
|
jadeite - aegirine joins |
|
Locality: synthetic |
|
Sample: Jd24Hde76 |
|
_database_code_amcsd 0004450 |
|
9.7340 8.9103 5.2682 90 105.904 90 C2/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
NaM2 0 .30061 .25 .24 .0114 .0137 .0090 .0092 0 -.0005 0 |
|
CaM2 0 .30061 .25 .76 .0114 .0137 .0090 .0092 0 -.0005 0 |
|
AlM1 0 .90603 .25 .24 .0075 .0074 .0073 .0071 0 .0009 0 |
|
Fe2+M1 0 .90603 .25 .76 .0075 .0074 .0073 .0071 0 .0009 0 |
|
SiT .28782 .09199 .2317 .0069 .0064 .0082 .0060 .0002 .0017 -.0006 |
|
O1 .1165 .0853 .1451 .0142 .0095 .0203 .0129 .0016 .0031 -.0028 |
|
O2 .3609 .2510 .3166 .0136 .0201 .0091 .0112 -.0007 .0035 -.0006 |
|
O3 .3510 .0160 -.0016 .0099 .0094 .0128 .0076 .0002 .0026 -.0027 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Nestola F, Tribaudino M, Ballaran T B, Liebske C, Bruno M |
|
American Mineralogist 92 (2007) 1492-1501 |
|
The crystal structures of pyroxenes along the jadeite - hedenbergite and |
|
jadeite - aegirine joins |
|
Locality: synthetic |
|
Sample: Jd0Hd100 |
|
_database_code_amcsd 0004451 |
|
9.8447 9.0234 5.2509 90 104.862 90 C2/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
CaM2 0 .30034 .25 .99 .00873 .0104 .0073 .0073 0 .0001 0 |
|
FeM2' 0 .242 .25 .01 .0065 |
|
Fe2+M1 0 .90741 .25 .00635 .0067 .0058 .0063 0 .0011 0 |
|
SiT .28786 .09244 .23259 .0050 .0050 .0052 .0048 -.0002 .0012 -.0004 |
|
O1 .1194 .0901 .1519 .0074 .0056 .0093 .0072 .0001 .0016 .0000 |
|
O2 .3630 .2465 .3237 .0097 .0122 .0068 .0096 .0029 .0019 -.0010 |
|
O3 .3502 .0198 -.0066 .0079 .0067 .0100 .0070 -.0001 .0017 -.0024 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Co3Al2Si3O12 |
| |
Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T, |
|
Olsen L A |
| |
American Mineralogist 92 (2007) 1616-1623 |
|
High-pressure optical spectroscopy and X-ray diffraction studies |
|
on synthetic cobalt aluminum silicate garnet |
|
Locality: Synthetic |
|
Sample: P = 0.0001 GPa |
|
_database_code_amcsd 0004454 |
|
11.4586 11.4586 11.4586 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Co .125 0 .25 .0112 |
|
Al 0 0 0 .0056 |
|
Si .375 0 .25 .0057 |
|
O .0338 .0506 .6528 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Co3Al2Si3O12 |
| |
Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T, |
|
Olsen L A |
| |
American Mineralogist 92 (2007) 1616-1623 |
|
High-pressure optical spectroscopy and X-ray diffraction studies |
|
on synthetic cobalt aluminum silicate garnet |
|
Locality: Synthetic |
|
Sample: P = 1.80 GPa |
|
_database_code_amcsd 0004455 |
|
11.4264 11.4264 11.4264 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Co .125 0 .25 .0060 |
|
Al 0 0 0 .0062 |
|
Si .375 0 .25 .0093 |
|
O .0339 .0509 .6529 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Co3Al2Si3O12 |
| |
Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T, |
|
Olsen L A |
| |
American Mineralogist 92 (2007) 1616-1623 |
|
High-pressure optical spectroscopy and X-ray diffraction studies |
|
on synthetic cobalt aluminum silicate garnet |
|
Locality: Synthetic |
|
Sample: P = 2.78 GPa |
|
_database_code_amcsd 0004456 |
|
11.4063 11.4063 11.4063 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Co .125 0 .25 .0086 |
|
Al 0 0 0 .0052 |
|
Si .375 0 .25 .0064 |
|
O .0337 .0519 .6525 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Co3Al2Si3O12 |
| |
Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T, |
|
Olsen L A |
| |
American Mineralogist 92 (2007) 1616-1623 |
|
High-pressure optical spectroscopy and X-ray diffraction studies |
|
on synthetic cobalt aluminum silicate garnet |
|
Locality: Synthetic |
|
Sample: P = 2.99 GPa |
|
_database_code_amcsd 0004457 |
|
11.3956 11.3956 11.3956 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Co .125 0 .25 .0091 |
|
Al 0 0 0 .0040 |
|
Si .375 0 .25 .0068 |
|
O .0333 .0514 .6525 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Co3Al2Si3O12 |
| |
Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T, |
|
Olsen L A |
| |
American Mineralogist 92 (2007) 1616-1623 |
|
High-pressure optical spectroscopy and X-ray diffraction studies |
|
on synthetic cobalt aluminum silicate garnet |
|
Locality: Synthetic |
|
Sample: P = 4.77 GPa |
|
_database_code_amcsd 0004458 |
|
11.3692 11.3692 11.3692 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Co .125 0 .25 .0089 |
|
Al 0 0 0 .0041 |
|
Si .375 0 .25 .0074 |
|
O .0335 .05272 .6523 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Co3Al2Si3O12 |
| |
Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T, |
|
Olsen L A |
| |
American Mineralogist 92 (2007) 1616-1623 |
|
High-pressure optical spectroscopy and X-ray diffraction studies |
|
on synthetic cobalt aluminum silicate garnet |
|
Locality: Synthetic |
|
Sample: P = 4.84 GPa |
|
_database_code_amcsd 0004459 |
|
11.3660 11.3660 11.3660 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Co .125 0 .25 .0097 |
|
Al 0 0 0 .0059 |
|
Si .375 0 .25 .0067 |
|
O .0336 .0516 .6528 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Co3Al2Si3O12 |
| |
Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T, |
|
Olsen L A |
| |
American Mineralogist 92 (2007) 1616-1623 |
|
High-pressure optical spectroscopy and X-ray diffraction studies |
|
on synthetic cobalt aluminum silicate garnet |
|
Locality: Synthetic |
|
Sample: P = 6.55 GPa |
|
_database_code_amcsd 0004460 |
|
11.3351 11.3351 11.3351 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Co .125 0 .25 .0092 |
|
Al 0 0 0 .0051 |
|
Si .375 0 .25 .0064 |
|
O .0334 .0526 .6527 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Co3Al2Si3O12 |
| |
Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T, |
|
Olsen L A |
| |
American Mineralogist 92 (2007) 1616-1623 |
|
High-pressure optical spectroscopy and X-ray diffraction studies |
|
on synthetic cobalt aluminum silicate garnet |
|
Locality: Synthetic |
|
Sample: P = 7.01 GPa |
|
_database_code_amcsd 0004461 |
|
11.3262 11.3262 11.3262 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Co .125 0 .25 .0083 |
|
Al 0 0 0 .0049 |
|
Si .375 0 .25 .0062 |
|
O .0333 .0526 .6524 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Co3Al2Si3O12 |
| |
Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T, |
|
Olsen L A |
| |
American Mineralogist 92 (2007) 1616-1623 |
|
High-pressure optical spectroscopy and X-ray diffraction studies |
|
on synthetic cobalt aluminum silicate garnet |
|
Locality: Synthetic |
|
Sample: P = 7.25 GPa |
|
_database_code_amcsd 0004462 |
|
11.3255 11.3255 11.3255 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Co .125 0 .25 .0078 |
|
Al 0 0 0 .0040 |
|
Si .375 0 .25 .0054 |
|
O .0330 .0527 .6522 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Co3Al2Si3O12 |
| |
Taran M N, Nestola F, Ohashi H, Koch-Muller M, Balic-Zunic T, |
|
Olsen L A |
| |
American Mineralogist 92 (2007) 1616-1623 |
|
High-pressure optical spectroscopy and X-ray diffraction studies |
|
on synthetic cobalt aluminum silicate garnet |
|
Locality: Synthetic |
|
Sample: P = 7.40 GPa |
|
_database_code_amcsd 0004463 |
|
11.3200 11.3200 11.3200 90 90 90 Ia-3d |
|
atom x y z Uiso |
|
Co .125 0 .25 .0089 |
|
Al 0 0 0 .0042 |
|
Si .375 0 .25 .0074 |
|
O .0330 .0529 .6528 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 0.0001 GPa, in air, ordered |
|
_database_code_amcsd 0004464 |
|
8.0888 8.0888 8.0888 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .85 .0047 |
|
AlA .125 .125 .125 .15 .0047 |
|
AlB .5 .5 .5 .925 .0037 |
|
MgB .5 .5 .5 .075 .0037 |
|
O .26332 .26332 .26332 .0049 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 0.0001 GPa, in DAC, ordered |
|
_database_code_amcsd 0004465 |
|
8.0961 8.0961 8.0961 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .85 .0053 |
|
AlA .125 .125 .125 .15 .0053 |
|
AlB .5 .5 .5 .925 .0036 |
|
MgB .5 .5 .5 .075 .0036 |
|
O .2630 .2630 .2630 .0051 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 0.44 GPa, ordered |
|
_database_code_amcsd 0004466 |
|
8.0864 8.0864 8.0864 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .85 .0070 |
|
AlA .125 .125 .125 .15 .0070 |
|
AlB .5 .5 .5 .925 .0068 |
|
MgB .5 .5 .5 .075 .0068 |
|
O .2637 .2637 .2637 .0100 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 2.92 GPa, ordered |
|
_database_code_amcsd 0004467 |
|
8.0494 8.0494 8.0494 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .85 .0067 |
|
AlA .125 .125 .125 .15 .0067 |
|
AlB .5 .5 .5 .925 .0060 |
|
MgB .5 .5 .5 .075 .0060 |
|
O .2634 .2634 .2634 .0074 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 7.34 GPa, ordered |
|
_database_code_amcsd 0004468 |
|
7.9996 7.9996 7.9996 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .85 .0081 |
|
AlA .125 .125 .125 .15 .0081 |
|
AlB .5 .5 .5 .925 .0068 |
|
MgB .5 .5 .5 .075 .0068 |
|
O .2629 .2629 .2629 .0087 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 8.03 GPa, ordered |
|
_database_code_amcsd 0004469 |
|
7.9921 7.9921 7.9921 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .85 .0097 |
|
AlA .125 .125 .125 .15 .0097 |
|
AlB .5 .5 .5 .925 .0094 |
|
MgB .5 .5 .5 .075 .0094 |
|
O .2633 .2633 .2633 .0100 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 0.0001 GPa, in air, disordered |
|
_database_code_amcsd 0004470 |
|
8.0849 8.0849 8.0849 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .73 .0038 |
|
AlA .125 .125 .125 .27 .0038 |
|
AlB .5 .5 .5 .865 .0041 |
|
MgB .5 .5 .5 .135 .0041 |
|
O .26166 .26166 .26166 .0078 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 0.0001 GPa, in DAC, disordered |
|
_database_code_amcsd 0004471 |
|
8.0899 8.0899 8.0899 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .73 .0050 |
|
AlA .125 .125 .125 .27 .0050 |
|
AlB .5 .5 .5 .865 .0051 |
|
MgB .5 .5 .5 .135 .0051 |
|
O .2614 .2614 .2614 .0094 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 0.440 GPa, disordered |
|
_database_code_amcsd 0004472 |
|
8.0801 8.0801 8.0801 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .73 .0062 |
|
AlA .125 .125 .125 .27 .0062 |
|
AlB .5 .5 .5 .865 .0060 |
|
MgB .5 .5 .5 .135 .0060 |
|
O .2615 .2615 .2615 .0110 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 2.924 GPa, disordered |
|
_database_code_amcsd 0004473 |
|
8.0451 8.0451 8.0451 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .73 .0056 |
|
AlA .125 .125 .125 .27 .0056 |
|
AlB .5 .5 .5 .865 .0063 |
|
MgB .5 .5 .5 .135 .0063 |
|
O .2614 .2614 .2614 .0094 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 7.342 GPa, disordered |
|
_database_code_amcsd 0004474 |
|
7.9928 7.9928 7.9928 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .73 .0038 |
|
AlA .125 .125 .125 .27 .0038 |
|
AlB .5 .5 .5 .865 .0043 |
|
MgB .5 .5 .5 .135 .0043 |
|
O .2612 .2612 .2612 .0081 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Nestola F, Boffa Ballaran T, Balic-Zunic T, Princivalle F, Secco L, Dal Negro A |
| |
American Mineralogist 92 (2007) 1838-1843 |
|
Comparative compressibility and structural behavior of spinel MgAl2O4 at high |
|
pressures: the independency on the degree of cation order |
|
Locality: Sri Lanka |
|
Sample: P = 8.027 GPa, disordered |
|
_database_code_amcsd 0004475 |
|
7.9874 7.9874 7.9874 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
MgA .125 .125 .125 .73 .0041 |
|
AlA .125 .125 .125 .27 .0041 |
|
AlB .5 .5 .5 .865 .0051 |
|
MgB .5 .5 .5 .135 .0051 |
|
O .2613 .2613 .2613 .0094 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Orthopyroxene |
| |
Nestola F, Ballaran T B, Balic-Zunic T, Secco L, Dal Negro A |
| |
American Mineralogist 93 (2008) 644-652 |
|
The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene |
|
Sample: P = 0 GPa, in air |
|
_database_code_amcsd 0004556 |
|
18.2889 8.8662 5.2175 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
Fe2+M2 .37965 .48140 .36168 .818 .0084 |
|
MgM2 .37965 .48140 .36168 .156 .0084 |
|
CaM2 .37965 .48140 .36168 .010 .0084 |
|
MnM2 .37965 .48140 .36168 .016 .0084 |
|
Fe2+M1 .37580 .65423 .8690 .081 .0074 |
|
MgM1 .37580 .65423 .8690 .767 .0074 |
|
AlM1 .37580 .65423 .8690 .084 .0074 |
|
Fe3+M1 .37580 .65423 .8690 .068 .0074 |
|
SiTA .27129 .34091 .0482 .0056 |
|
SiTB .47336 .33616 .8012 .848 .0060 |
|
AlTB .47336 .33616 .8012 .152 .0060 |
|
O1A .18322 .3375 .0412 .0081 |
|
O2A .31104 .5017 .0506 .0092 |
|
O3A .30213 .2314 -.1800 .0090 |
|
O1B .56311 .3355 .8031 .0082 |
|
O2B .43341 .4855 .6953 .0096 |
|
O3B .44655 .3027 .1038 .0101 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Orthopyroxene |
| |
Nestola F, Ballaran T B, Balic-Zunic T, Secco L, Dal Negro A |
| |
American Mineralogist 93 (2008) 644-652 |
|
The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene |
|
Sample: P = 0 GPa, in air, same # of reflections as DAC crystal |
|
_database_code_amcsd 0004557 |
|
18.2889 8.8662 5.2175 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
Fe2+M2 .37962 .48150 .3618 .818 .0086 |
|
MgM2 .37962 .48150 .3618 .156 .0086 |
|
CaM2 .37962 .48150 .3618 .010 .0086 |
|
MnM2 .37962 .48150 .3618 .016 .0086 |
|
Fe2+M1 .37582 .65443 .86913 .081 .0066 |
|
MgM1 .37582 .65443 .86913 .767 .0066 |
|
AlM1 .37582 .65443 .86913 .084 .0066 |
|
Fe3+M1 .37582 .65443 .86913 .068 .0066 |
|
SiTA .27142 .3411 .0480 .00564 |
|
SiTB .47330 .3366 .8012 .848 .0059 |
|
AlTB .47330 .3366 .8012 .152 .0059 |
|
O1A .1832 .3382 .0405 .0079 |
|
O2A .3111 .5014 .0514 .0097 |
|
O3A .3021 .2317 -.1798 .0090 |
|
O1B .5631 .3350 .8033 .0087 |
|
O2B .4335 .4851 .6953 .0088 |
|
O3B .4466 .3026 .1044 .0114 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Orthopyroxene |
| |
Nestola F, Ballaran T B, Balic-Zunic T, Secco L, Dal Negro A |
| |
American Mineralogist 93 (2008) 644-652 |
|
The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene |
|
Sample: P = 0.163 GPa |
|
_database_code_amcsd 0004558 |
|
18.2804 8.8601 5.2161 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
Fe2+M2 .37962 .4811 .3614 .818 .0110 |
|
MgM2 .37962 .4811 .3614 .156 .0110 |
|
CaM2 .37962 .4811 .3614 .010 .0110 |
|
MnM2 .37962 .4811 .3614 .016 .0110 |
|
Fe2+M1 .37577 .6542 .8687 .081 .0110 |
|
MgM1 .37577 .6542 .8687 .767 .0110 |
|
AlM1 .37577 .6542 .8687 .084 .0110 |
|
Fe3+M1 .37577 .6542 .8687 .068 .0110 |
|
SiTA .27140 .3406 .0479 .0058 |
|
SiTB .47332 .3361 .8030 .848 .0068 |
|
AlTB .47332 .3361 .8030 .152 .0068 |
|
O1A .1830 .3370 .0401 .0086 |
|
O2A .3112 .5012 .0502 .0096 |
|
O3A .3021 .2326 -.181 .0086 |
|
O1B .5626 .3351 .8044 .0096 |
|
O2B .4335 .4857 .6913 .0108 |
|
O3B .4464 .3030 .1008 .0094 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Orthopyroxene |
| |
Nestola F, Ballaran T B, Balic-Zunic T, Secco L, Dal Negro A |
| |
American Mineralogist 93 (2008) 644-652 |
|
The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene |
|
Sample: P = 1.715 GPa |
|
_database_code_amcsd 0004559 |
|
18.2192 8.8111 5.1965 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
Fe2+M2 .37964 .4803 .3588 .818 .0109 |
|
MgM2 .37964 .4803 .3588 .156 .0109 |
|
CaM2 .37964 .4803 .3588 .010 .0109 |
|
MnM2 .37964 .4803 .3588 .016 .0109 |
|
Fe2+M1 .37578 .6552 .8664 .081 .0103 |
|
MgM1 .37578 .6552 .8664 .767 .0103 |
|
AlM1 .37578 .6552 .8664 .084 .0103 |
|
Fe3+M1 .37578 .6552 .8664 .068 .0103 |
|
SiTA .27127 .3410 .0448 .0064 |
|
SiTB .47318 .3365 .8037 .848 .0066 |
|
AlTB .47318 .3365 .8037 .152 .0066 |
|
O1A .1832 .3370 .0370 .009 |
|
O2A .3107 .5028 .0452 .010 |
|
O3A .3026 .2325 -.185 .009 |
|
O1B .5624 .3352 .8072 .008 |
|
O2B .4337 .4868 .6926 .012 |
|
O3B .4460 .3043 .1032 .010 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Orthopyroxene |
| |
Nestola F, Ballaran T B, Balic-Zunic T, Secco L, Dal Negro A |
| |
American Mineralogist 93 (2008) 644-652 |
|
The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene |
|
Sample: P = 3.947 GPa |
|
_database_code_amcsd 0004560 |
|
18.1427 8.7460 5.1716 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
Fe2+M2 .37963 .4792 .3568 .818 .0100 |
|
MgM2 .37963 .4792 .3568 .156 .0100 |
|
CaM2 .37963 .4792 .3568 .010 .0100 |
|
MnM2 .37963 .4792 .3568 .016 .0100 |
|
Fe2+M1 .37582 .6559 .8644 .081 .0099 |
|
MgM1 .37582 .6559 .8644 .767 .0099 |
|
AlM1 .37582 .6559 .8644 .084 .0099 |
|
Fe3+M1 .37582 .6559 .8644 .068 .0099 |
|
SiTA .27112 .3418 .0403 .0061 |
|
SiTB .47292 .3367 .8048 .848 .0064 |
|
AlTB .47292 .3367 .8048 .152 .0064 |
|
O1A .1825 .3373 .0338 .009 |
|
O2A .3099 .5053 .0423 .011 |
|
O3A .3027 .2330 -.188 .008 |
|
O1B .5625 .3351 .8069 .008 |
|
O2B .4340 .4879 .6916 .011 |
|
O3B .4453 .3058 .1077 .009 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Orthopyroxene |
| |
Nestola F, Ballaran T B, Balic-Zunic T, Secco L, Dal Negro A |
| |
American Mineralogist 93 (2008) 644-652 |
|
The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene |
|
Sample: P = 8.033 GPa |
|
_database_code_amcsd 0004561 |
|
18.0221 8.6456 5.1327 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
Fe2+M2 .37954 .4777 .3544 .818 .0089 |
|
MgM2 .37954 .4777 .3544 .156 .0089 |
|
CaM2 .37954 .4777 .3544 .010 .0089 |
|
MnM2 .37954 .4777 .3544 .016 .0089 |
|
Fe2+M1 .37601 .6572 .8612 .081 .0094 |
|
MgM1 .37601 .6572 .8612 .767 .0094 |
|
AlM1 .37601 .6572 .8612 .084 .0094 |
|
Fe3+M1 .37601 .6572 .8612 .068 .0094 |
|
SiTA .27097 .3430 .0350 .0056 |
|
SiTB .47284 .3374 .8057 .848 .0063 |
|
AlTB .47284 .3374 .8057 .152 .0063 |
|
O1A .1821 .3376 .0286 .008 |
|
O2A .3090 .5085 .0390 .010 |
|
O3A .3037 .2328 -.195 .008 |
|
O1B .5625 .3355 .8118 .009 |
|
O2B .4344 .4897 .6886 .011 |
|
O3B .4447 .3066 .1090 .009 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Orthopyroxene |
| |
Nestola F, Ballaran T B, Balic-Zunic T, Secco L, Dal Negro A |
| |
American Mineralogist 93 (2008) 644-652 |
|
The high-pressure behavior of an Al- and Fe-rich natural orthopyroxene |
|
Sample: P = 9.562 GPa |
|
_database_code_amcsd 0004562 |
|
17.9770 8.6100 5.1227 90 90 90 Pbca |
|
atom x y z occ Uiso |
|
Fe2+M2 .37946 .4772 .3536 .818 .0085 |
|
MgM2 .37946 .4772 .3536 .156 .0085 |
|
CaM2 .37946 .4772 .3536 .010 .0085 |
|
MnM2 .37946 .4772 .3536 .016 .0085 |
|
Fe2+M1 .3762 .6579 .8598 .081 .0095 |
|
MgM1 .3762 .6579 .8598 .767 .0095 |
|
AlM1 .3762 .6579 .8598 .084 .0095 |
|
Fe3+M1 .3762 .6579 .8598 .068 .0095 |
|
SiTA .2709 .3431 .0337 .0058 |
|
SiTB .4728 .3375 .8059 .848 .0064 |
|
AlTB .4728 .3375 .8059 .152 .0064 |
|
O1A .1819 .3376 .0312 .006 |
|
O2A .3088 .5093 .0368 .010 |
|
O3A .3037 .2336 -.197 .009 |
|
O1B .5627 .3352 .8118 .008 |
|
O2B .4347 .4898 .6876 .011 |
|
O3B .4447 .3072 .1107 .008 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Jadeite |
|
Nestola F, Ballaran T B, Liebske C, Thompson R, Downs R T |
| |
American Mineralogist 93 (2008) 1005-1013 |
|
The effect of the hedenbergitic substitution on the compressibility |
|
of jadeite |
|
Locality: Synthetic |
|
Sample: Jd0Hd100 at P = 0 GPa |
|
_database_code_amcsd 0004600 |
|
9.8447 9.0234 5.2509 90 104.862 90 C2/c |
|
atom x y z Uiso |
|
CaM2 0 .3001 .25 .0083 |
|
Fe2+M1 0 .90740 .25 .0065 |
|
SiT .2877 .09253 .2325 .0052 |
|
O1 .1193 .0907 .1522 .0083 |
|
O2 .3624 .2464 .3245 .0089 |
|
O3 .3502 .0195 .9938 .0090 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Jadeite |
|
Nestola F, Ballaran T B, Liebske C, Thompson R, Downs R T |
| |
American Mineralogist 93 (2008) 1005-1013 |
|
The effect of the hedenbergitic substitution on the compressibility |
|
of jadeite |
|
Locality: Synthetic |
|
Sample: Jd0Hd100 at P = 3.80 GPa |
|
_database_code_amcsd 0004601 |
|
9.7553 8.8998 5.1923 90 104.290 90 C2/c |
|
atom x y z Uiso |
|
CaM2 0 .3021 .25 .0096 |
|
Fe2+M1 0 .9086 .25 .0086 |
|
SiT .2878 .0936 .2314 .0061 |
|
O1 .1201 .0911 .1522 .0092 |
|
O2 .3621 .2496 .3262 .013 |
|
O3 .3519 .0226 .9885 .010 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Jadeite |
|
Nestola F, Ballaran T B, Liebske C, Thompson R, Downs R T |
| |
American Mineralogist 93 (2008) 1005-1013 |
|
The effect of the hedenbergitic substitution on the compressibility |
|
of jadeite |
|
Locality: Synthetic |
|
Sample: Jd100Hd0, P = 0 GPa |
|
_database_code_amcsd 0004602 |
|
9.4278 8.5651 5.2262 90 107.624 90 C2/c |
|
atom x y z Uiso |
|
NaM2 0 .3002 .25 .0086 |
|
AlM1 0 .9061 .25 .0049 |
|
SiT .2902 .0935 .2281 .0045 |
|
O1 .1112 .0757 .1293 .0056 |
|
O2 .3602 .2634 .2939 .0072 |
|
O3 .3534 .0071 1.0066 .0075 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Jadeite |
|
Nestola F, Ballaran T B, Liebske C, Thompson R, Downs R T |
| |
American Mineralogist 93 (2008) 1005-1013 |
|
The effect of the hedenbergitic substitution on the compressibility |
|
of jadeite |
|
Locality: Synthetic |
|
Sample: Jd100Hd0, P = 3.14 GPa |
|
_database_code_amcsd 0004603 |
|
9.3488 8.5013 5.1856 90 107.345 90 C2/c |
|
atom x y z Uiso |
|
NaM2 0 .3019 .25 .0110 |
|
AlM1 0 .9076 .25 .0059 |
|
SiT .2905 .0941 .2288 .0050 |
|
O1 .1090 .0782 .1291 .006 |
|
O2 .3603 .2652 .2976 .007 |
|
O3 .3555 .0099 1.0052 .008 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Jadeite |
|
Nestola F, Ballaran T B, Liebske C, Thompson R, Downs R T |
| |
American Mineralogist 93 (2008) 1005-1013 |
|
The effect of the hedenbergitic substitution on the compressibility |
|
of jadeite |
|
Locality: Synthetic |
|
Sample: Jd100Hd0, P = 8.31 GPa |
|
_database_code_amcsd 0004604 |
|
9.2411 8.4053 5.1236 90 106.906 90 C2/c |
|
atom x y z Uiso |
|
NaM2 0 .3041 .25 .0091 |
|
AlM1 0 .9082 .25 .0053 |
|
SiT .2908 .0949 .2294 .0055 |
|
O1 .1093 .0784 .1309 .0046 |
|
O2 .3596 .2674 .3027 .008 |
|
O3 .3566 .0146 1.0009 .007 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Jadeite |
|
Nestola F, Ballaran T B, Liebske C, Thompson R, Downs R T |
| |
American Mineralogist 93 (2008) 1005-1013 |
|
The effect of the hedenbergitic substitution on the compressibility |
|
of jadeite |
|
Locality: Synthetic |
|
Sample: Jd24Hd76, P = 0 GPa |
|
_database_code_amcsd 0004605 |
|
9.7340 8.9103 5.2682 90 105.904 90 C2/c |
|
atom x y z occ Uiso |
|
NaM2 0 .3006 .25 .24 .0094 |
|
CaM2 0 .3006 .25 .76 .0094 |
|
AlM1 0 .9059 .25 .24 .0077 |
|
Fe2+M1 0 .9059 .25 .76 .0077 |
|
SiT .2883 .0920 .2315 .0077 |
|
O1 .1146 .0855 .1454 .0163 |
|
O2 .3610 .2508 .3167 .0107 |
|
O3 .3496 .0158 .9987 .0108 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Nestola F, Ballaran T B, Liebske C, Thompson R, Downs R T |
| |
American Mineralogist 93 (2008) 1005-1013 |
|
The effect of the hedenbergitic substitution on the compressibility |
|
of jadeite |
|
Locality: Synthetic |
|
Sample: Jd24Hd76, P = 3.87 GPa |
|
_database_code_amcsd 0004606 |
|
9.6410 8.7920 5.2122 90 105.391 90 C2/c |
|
atom x y z occ Uiso |
|
NaM2 0 .3019 .25 .24 .012 |
|
CaM2 0 .3019 .25 .76 .012 |
|
AlM1 0 .9056 .25 .24.0061 |
|
Fe2+M1 0 .9056 .25 .76.0061 |
|
SiT .2885 .0927 .2317 .010 |
|
O1 .1167 .086 .1482 .014 |
|
O2 .3602 .2539 .320 .019 |
|
O3 .3540 .0200 .9946 .008 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Hedenbergite |
|
Nestola F, Ballaran T B, Liebske C, Thompson R, Downs R T |
| |
American Mineralogist 93 (2008) 1005-1013 |
|
The effect of the hedenbergitic substitution on the compressibility |
|
of jadeite |
|
Locality: Synthetic |
|
Sample: Jd24Hd76, P = 8.76 GPa |
|
_database_code_amcsd 0004607 |
|
9.5525 8.6648 5.1550 90 104.972 90 C2/c |
|
atom x y z occ Uiso |
|
NaM2 0 .305 .25 .24 .012 |
|
CaM2 0 .305 .25 .76 .012 |
|
AlM1 0 .908 .25 .24 .007 |
|
Fe2+M1 0 .908 .25 .76 .007 |
|
SiT .2883 .0946 .2309 .012 |
|
O1 .1155 .089 .146 .014 |
|
O2 .359 .2583 .323 .021 |
|
O3 .3550 .023 .989 .011 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Jadeite |
|
Nestola F, Ballaran T B, Liebske C, Thompson R, Downs R T |
| |
American Mineralogist 93 (2008) 1005-1013 |
|
The effect of the hedenbergitic substitution on the compressibility |
|
of jadeite |
|
Locality: Synthetic |
|
Sample: Jd53Hd47, P = 0 GPa |
|
_database_code_amcsd 0004608 |
|
9.6031 8.7735 5.2656 90 106.725 90 C2/c |
|
atom x y z occ Uiso |
|
NaM2 0 .3008 .25 .53 .0133 |
|
CaM2 0 .3008 .25 .47 .0133 |
|
AlM1 0 .9050 .25 .52 .0079 |
|
Fe2+M1 0 .9050 .25 .48 .0079 |
|
SiT .2883 .0922 .2298 .0078 |
|
O1 .1122 .0802 .1365 .0189 |
|
O2 .3593 .2556 .3088 .0112 |
|
O3 .3525 .0128 1.0011 .0113 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Jadeite |
|
Nestola F, Ballaran T B, Liebske C, Thompson R, Downs R T |
| |
American Mineralogist 93 (2008) 1005-1013 |
|
The effect of the hedenbergitic substitution on the compressibility |
|
of jadeite |
|
Locality: Synthetic |
|
Sample: Jd53Hd47, P = 3.65 GPa |
|
_database_code_amcsd 0004609 |
|
9.5135 8.6765 5.2158 90 106.317 90 C2/c |
|
atom x y z occ Uiso |
|
NaM2 0 .3024 .25 .53 .011 |
|
CaM2 0 .3024 .25 .47 .011 |
|
AlM1 0 .9061 .25 .52 .0087 |
|
Fe2+M1 0 .9061 .25 .48 .0087 |
|
SiT .2886 .0920 .2301 .0068 |
|
O1 .1145 .0817 .1369 .015 |
|
O2 .3591 .2571 .3093 .013 |
|
O3 .3529 .0166 .9982 .009 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Jadeite |
|
Nestola F, Ballaran T B, Liebske C, Thompson R, Downs R T |
| |
American Mineralogist 93 (2008) 1005-1013 |
|
The effect of the hedenbergitic substitution on the compressibility |
|
of jadeite |
|
Locality: Synthetic |
|
Sample: Jd53Hd47, P = 6.09 GPa |
|
_database_code_amcsd 0004610 |
|
9.4632 8.6170 5.1857 90 106.097 90 C2/c |
|
atom x y z occ Uiso |
|
NaM2 0 .3046 .25 .53 .012 |
|
CaM2 0 .3046 .25 .47 .012 |
|
AlM1 0 .9066 .25 .52 .0068 |
|
Fe2+M1 0 .9066 .25 .48 .0068 |
|
SiT .2888 .0928 .2300 .0074 |
|
O1 .1125 .0825 .1366 .014 |
|
O2 .3588 .2589 .3124 .012 |
|
O3 .3544 .0188 .9967 .011 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Epididymite |
|
Gatta G D, Rotiroti N, McIntyre G J, Guastoni A, Nestola F |
| |
American Mineralogist 93 (2008) 1158-1165 |
|
New insights into the crystal chemistry of epididymite and eudidymite |
|
from Malosa, Malawi: A single-crystal neutron diffraction study |
|
Locality: Malosa, Malawi |
|
_database_code_amcsd 0004614 |
|
12.7334 13.6298 7.3467 90 90 90 Pnma |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na .10285 .06934 .50192 .0266 .0377 .0220 .0201 -.0074 .0053 -.0015 |
|
Be .49472 -.00042 .34273 .0067 .0068 .0068 .0065 .0005 .0002 .0001 |
|
Si1 .15908 .1378 .01543 .0051 .0040 .0049 .0062 -.0008 .0001 -.0002 |
|
Si2 .3426 .13635 .73115 .0054 .0051 .0054 .0059 .0006 .0012 -.0007 |
|
Si3 .33173 .13741 .30525 .0059 .0065 .0055 .0058 .0010 -.0017 -.0002 |
|
O1 .12005 .25 .00001 .0139 .0136 .0039 .0241 0 -.0031 0 |
|
O2 .21704 .1224 .21004 .0118 .0084 .0162 .0109 -.0014 -.0049 .0005 |
|
O3 .06068 .06612 .00658 .0072 .0068 .0077 .0071 -.0034 -.0002 -.0003 |
|
O4 .23777 .11405 .84938 .0148 .0108 .0186 .0151 -.0026 .0078 -.0021 |
|
O5 .43489 .06457 .78946 .0090 .0100 .0093 .0076 .0042 .0004 -.0006 |
|
O6 .37761 .25 .76529 .0120 .0133 .0054 .0173 0 -.0032 0 |
|
O7 .30497 .12340 .52074 .0106 .0120 .0131 .0068 .0019 -.0009 -.0002 |
|
O8 .37000 .25 .26883 .0115 .0124 .0056 .0164 0 .0022 0 |
|
O9 .41552 .06300 .22624 .0095 .0113 .0094 .0077 .0045 -.0013 -.0006 |
|
OW .05713 .25 .48974 .0288 .0215 .0316 .0333 0 .0060 0 |
|
H1 .00647 .25 .58561 .0515 .044 .051 .059 0 .024 0 |
|
H2 .01340 .25 .38486 .0586 .060 .060 .055 0 -.015 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Eudidymite |
|
Gatta G D, Rotiroti N, McIntyre G J, Guastoni A, Nestola F |
| |
American Mineralogist 93 (2008) 1158-1165 |
|
New insights into the crystal chemistry of epididymite and eudidymite |
|
from Malosa, Malawi: A single-crystal neutron diffraction study |
|
Locality: Malosa, Malawi |
|
_database_code_amcsd 0004615 |
|
12.6188 7.3781 13.9940 90 103.762 90 C2/c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na .02899 .34078 .92853 .0260 .0256 .0299 .0241 -.0089 .0089 -.0102 |
|
Be .16817 .32317 .49710 .0067 .0068 .0058 .0073 -.0005 .0015 .00050 |
|
Si1 .20415 .01965 .64127 .0045 .0068 .0026 .0047 .0012 .0024 -.0004 |
|
Si2 .25166 .10250 .86648 .0050 .0058 .0037 .0051 .0010 .0005 -.0010 |
|
Si3 .02964 .09397 .36195 .0050 .0042 .0062 .0044 -.0006 .0007 -.0011 |
|
O1 .07277 .03247 .62614 .0108 .0073 .0108 .0148 .0019 .0038 -.0022 |
|
O2 .24036 .18030 .11540 .0127 .0191 .0038 .0159 -.0004 .0055 -.0023 |
|
O3 .24045 .16471 .57054 .0073 .0087 .0063 .0076 .0030 .0034 .0004 |
|
O4 .23677 .43859 .24484 .0122 .0149 .0167 .0051 -.0022 .0028 -.0009 |
|
O5 .15480 .49864 .05623 .0087 .0083 .0079 .0088 .0032 .0001 -.0011 |
|
O6 .12854 .05189 .87541 .0103 .0080 .0092 .0138 .0010 .0030 -.0029 |
|
O7 0 .17321 .25 .0109 .0169 .0089 .0064 0 .0016 0 |
|
O8 .05237 .25694 .43729 .0092 .0073 .0108 .0088 -.0039 .0004 -.0003 |
|
H1 .0840 .4645 .7449 .5 .059 .042 .083 .050 -.001 .007 -.018 |
|
H2 -.0227 .5419 .7486 .5 .054 .064 .043 .055 .004 .016 .020 |
|
OW .01209 .43098 .74466 .5 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
CaGe2O5 |
| |
Nestola F, Nemeth P, Angel R J, Buseck P R |
| |
American Mineralogist 93 (2008) 1424-1428 |
|
Equation of state and crystal structure of a new germanate post-titanite phase |
|
Locality: synthetic |
|
Note: pressure = 8.6 GPa |
|
_database_code_amcsd 0004635 |
|
7.1236 8.1912 5.6468 90 90 90 Pbam |
|
atom x y z Uiso |
|
Ca .1313 .6663 .5 .0053 |
|
Ge1 0 0 .2543 .0044 |
|
Ge2 .8918 .6468 0 .0039 |
|
O1 .1087 .2079 .243 .005 |
|
O2 0 .5 .204 .005 |
|
O3 .161 .9439 .5 .005 |
|
O4 .655 .575 0 .005 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pyroxmangite |
|
Zanazzi P F, Nestola F, Nazzareni S, Comodi P |
| |
American Mineralogist 93 (2008) 1921-1928 |
|
Pyroxmangite: A high pressure single-crystal study |
|
Locality: Yokone-Yama, Awano Town, Tochigi Prefecture, Japan |
|
Note: Pressure = 0.0001 GPa |
|
_database_code_amcsd 0004770 |
|
9.663 10.457 17.360 112.28 103.13 82.88 C-1 |
|
atom x y z occ Uiso |
|
MnM1 -.00048 .04202 .10506 .985 .0081 |
|
FeM1 -.00048 .04202 .10506 .015 .0081 |
|
MnM2 -.00031 .166454 .31180 .899 .0084 |
|
MgM2 -.00031 .166454 .31180 .101 .0084 |
|
MnM3 .00061 .06715 .60493 .917 .0078 |
|
MgM3 .00061 .06715 .60493 .083 .0078 |
|
MnM4 .01422 .17658 .80618 .932 .0082 |
|
MgM4 .01422 .17658 .80618 .068 .0082 |
|
MnM5 .00392 .27124 .51005 .942 .0112 |
|
MgM5 .00392 .27124 .51005 .058 .0112 |
|
MnM6 .06199 .26317 .01728 .807 .0133 |
|
MgM6 .06199 .26317 .01728 .193 .0133 |
|
MnM7 -.00696 .37071 .21006 .923 .0115 |
|
MgM7 -.00696 .37071 .21006 .077 .0115 |
|
Si1 .20201 .44251 .93515 .0071 |
|
Si2 .20987 .33236 .75112 .0063 |
|
Si3 .21097 .53298 .66185 .0066 |
|
Si4 .20778 .42495 .46847 .0066 |
|
Si5 .21065 .63179 .38004 .0064 |
|
Si6 .20935 .52897 .18891 .0067 |
|
Si7 .20369 .71058 .08906 .0068 |
|
O1 .1283 .0728 .0287 .0096 |
|
O2 .1187 .1861 .2267 .0090 |
|
O3 .1179 .9633 .3112 .0091 |
|
O4 .1214 .0896 .5196 .0092 |
|
O5 .1184 .8721 .6057 .0090 |
|
O6 .1209 .9872 .8062 .0091 |
|
O7 .1289 .7800 .8977 .0096 |
|
O8 .0986 .8443 .0938 .0099 |
|
O9 .1284 .3106 .9294 .0125 |
|
O10 .1247 .1962 .7227 .0096 |
|
O11 .1220 .6651 .7117 .0153 |
|
O12 .1228 .2856 .4254 .0136 |
|
O13 .1301 .7758 .4216 .0126 |
|
O14 .1217 .3948 .1318 .0119 |
|
O15 .1654 .4502 .8390 .0097 |
|
O16 .1589 .4032 .6793 .0134 |
|
O17 .1585 .4978 .5604 .0139 |
|
O18 .1499 .5308 .4172 .0128 |
|
O19 .1533 .5672 .2775 .0116 |
|
O20 .1562 .6614 .1592 .0097 |
|
O21 .1429 .5912 .9966 .0101 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pyroxmangite |
|
Zanazzi P F, Nestola F, Nazzareni S, Comodi P |
| |
American Mineralogist 93 (2008) 1921-1928 |
|
Pyroxmangite: A high pressure single-crystal study |
|
Locality: Yokone-Yama, Awano Town, Tochigi Prefecture, Japan |
|
Pressure = 1.24 GPa |
|
_database_code_amcsd 0004771 |
|
9.62 10.41 17.29 112.0 103.4 83.0 C-1 |
|
atom x y z occ Uiso |
|
MnM1 -.0006 .0425 .1053 .985 .0097 |
|
FeM1 -.0006 .0425 .1053 .015 .0097 |
|
MnM2 -.0003 .1667 .3118 .899 .0106 |
|
MgM2 -.0003 .1667 .3118 .101 .0106 |
|
MnM3 -.0011 .0664 .6048 .917 .0115 |
|
MgM3 -.0011 .0664 .6048 .083 .0115 |
|
MnM4 .0129 .1771 .8062 .932 .0122 |
|
MgM4 .0129 .1771 .8062 .068 .0122 |
|
MnM5 .0045 .2726 .5113 .942 .0169 |
|
MgM5 .0045 .2726 .5113 .058 .0169 |
|
MnM6 .0624 .2613 .0161 .807 .0112 |
|
MgM6 .0624 .2613 .0161 .193 .0112 |
|
MnM7 -.0060 .3733 .2110 .923 .0155 |
|
MgM7 -.0060 .3733 .2110 .077 .0155 |
|
Si1 .1996 .4431 .9357 .011 |
|
Si2 .2078 .3331 .7515 .010 |
|
Si3 .2118 .5315 .6613 .009 |
|
Si4 .2072 .4256 .4693 .012 |
|
Si5 .2110 .6321 .3800 .008 |
|
Si6 .2097 .5293 .1892 .013 |
|
Si7 .2043 .7119 .0891 .009 |
|
O1 .132 .070 .027 .012 |
|
O2 .118 .188 .227 .014 |
|
O3 .121 .964 .311 .003 |
|
O4 .123 .088 .519 .012 |
|
O5 .121 .872 .607 .018 |
|
O6 .121 .987 .806 .010 |
|
O7 .132 .778 .899 .014 |
|
O8 .098 .847 .094 .014 |
|
O9 .131 .309 .927 .015 |
|
O10 .122 .194 .724 .014 |
|
O11 .119 .665 .713 .022 |
|
O12 .121 .286 .427 .019 |
|
O13 .135 .775 .421 .013 |
|
O14 .120 .392 .133 .013 |
|
O15 .162 .451 .838 .012 |
|
O16 .156 .401 .679 .010 |
|
O17 .157 .500 .562 .019 |
|
O18 .148 .529 .416 .011 |
|
O19 .152 .569 .275 .011 |
|
O20 .159 .662 .158 .016 |
|
O21 .140 .592 .996 .006 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pyroxmangite |
|
Zanazzi P F, Nestola F, Nazzareni S, Comodi P |
| |
American Mineralogist 93 (2008) 1921-1928 |
|
Pyroxmangite: A high pressure single-crystal study |
|
Locality: Yokone-Yama, Awano Town, Tochigi Prefecture, Japan |
|
Pressure = 3.57 GPa |
|
_database_code_amcsd 0004772 |
|
9.57 10.32 17.16 112.1 103.2 82.9 C-1 |
|
atom x y z occ Uiso |
|
MnM1 .0010 .0447 .1060 .985 .0080 |
|
FeM1 .0010 .0447 .1060 .015 .0080 |
|
MnM2 .0020 .1664 .3117 .899 .0089 |
|
MgM2 .0020 .1664 .3117 .101 .0089 |
|
MnM3 -.0016 .0643 .6040 .917 .0088 |
|
MgM3 -.0016 .0643 .6040 .083 .0088 |
|
MnM4 .0104 .1766 .8057 .932 .0103 |
|
MgM4 .0104 .1766 .8057 .068 .0103 |
|
MnM5 .0056 .2741 .5122 .942 .0134 |
|
MgM5 .0056 .2741 .5122 .058 .0134 |
|
MnM6 .0647 .2612 .0159 .807 .0131 |
|
MgM6 .0647 .2612 .0159 .193 .0131 |
|
MnM7 -.0047 .3747 .2109 .923 .0134 |
|
MgM7 -.0047 .3747 .2109 .077 .0134 |
|
Si1 .1981 .4430 .9341 .009 |
|
Si2 .2078 .3295 .7494 .007 |
|
Si3 .2077 .5332 .6613 .007 |
|
Si4 .2063 .4246 .4677 .009 |
|
Si5 .2102 .6355 .3806 .007 |
|
Si6 .2119 .5301 .1893 .011 |
|
Si7 .2058 .7132 .0884 .009 |
|
O1 .129 .071 .0275 .005 |
|
O2 .122 .187 .2264 .010 |
|
O3 .122 .963 .3107 .010 |
|
O4 .117 .088 .5173 .015 |
|
O5 .118 .873 .6051 .015 |
|
O6 .118 .988 .8066 .013 |
|
O7 .124 .777 .9003 .012 |
|
O8 .103 .850 .0934 .009 |
|
O9 .126 .309 .9279 .020 |
|
O10 .123 .192 .7215 .013 |
|
O11 .114 .666 .7130 .014 |
|
O12 .124 .285 .4273 .011 |
|
O13 .133 .779 .4221 .015 |
|
O14 .126 .393 .1313 .010 |
|
O15 .162 .451 .8370 .012 |
|
O16 .153 .400 .6750 .014 |
|
O17 .152 .503 .5604 .012 |
|
O18 .144 .526 .4121 .014 |
|
O19 .151 .572 .2761 .009 |
|
O20 .161 .665 .1598 .015 |
|
O21 .141 .596 .9966 .010 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Aluminocerite-(Ce) |
| |
Nestola F, Guastoni A, Camara F, Secco L, Dal Negro A, Pedron D, Beran A |
| |
American Mineralogist 94 (2009) 487-493 |
|
Aluminocerite-Ce: A new species from Baveno, Italy: Descriptions and |
|
crystal-structure determination |
|
Locality: Ratti quarry, Baveno, Italy |
|
_database_code_amcsd 0004896 |
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10.645 10.645 38.019 90 90 120 R3c |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ce1 .25920 .13369 .06808 .34 .0233 .0239 .0234 .0232 .0122 .0001 -.0008 |
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Nd1 .25920 .13369 .06808 .38 .0233 .0239 .0234 .0232 .0122 .0001 -.0008 |
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Pr1 .25920 .13369 .06808 .14 .0233 .0239 .0234 .0232 .0122 .0001 -.0008 |
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Sm1 .25920 .13369 .06808 .05 .0233 .0239 .0234 .0232 .0122 .0001 -.0008 |
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Gd1 .25920 .13369 .06808 .02 .0233 .0239 .0234 .0232 .0122 .0001 -.0008 |
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Dy1 .25920 .13369 .06808 .01 .0233 .0239 .0234 .0232 .0122 .0001 -.0008 |
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Yb1 .25920 .13369 .06808 .003 .0233 .0239 .0234 .0232 .0122 .0001 -.0008 |
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Ce2 .14123 .2582 .43098 .55 .0224 .0212 .0248 .0227 .0125 .0022 .0049 |
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La2 .14123 .2582 .43098 .24 .0224 .0212 .0248 .0227 .0125 .0022 .0049 |
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Ca2 .14123 .2582 .43098 .20 .0224 .0212 .0248 .0227 .0125 .0022 .0049 |
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Ca3 .2572 .1337 .1759 .57 .0230 .0242 .0215 .0252 .0128 -.0043 -.0039 |
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La3 .2572 .1337 .1759 .21 .0230 .0242 .0215 .0252 .0128 -.0043 -.0039 |
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Ce3 .2572 .1337 .1759 .18 .0230 .0242 .0215 .0252 .0128 -.0043 -.0039 |
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Si1 .3167 .1467 .36201 .0234 .024 .023 .021 .010 -.002 .000 |
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Si2 .1499 .3268 .1372 .0231 .026 .018 .024 .010 .003 .007 |
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Si3 0 0 .2531 .027 .022 .022 .036 .0109 0 0 |
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AlM1 0 0 -.0014 .61 .026 .027 .027 .024 .0136 0 0 |
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Fe3+M1 0 0 -.0014 .39 .026 .027 .027 .024 .0136 0 0 |
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OH1 .256 .090 .3228 .035 .028 .046 .022 .012 -.005 -.002 |
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O2 .277 .0044 .3854 .025 .032 .012 .033 .011 .001 -.008 |
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O3 .265 .250 .3782 .034 .036 .030 .039 .019 .005 .003 |
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O4 .083 .1684 .0297 .029 .051 .012 .024 .015 .006 .005 |
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O5 .244 .268 .1158 .037 .030 .028 .046 .010 .009 .002 |
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O6 -.018 .269 .1227 .035 .037 .036 .038 .024 -.005 -.001 |
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O7 .1637 .0719 .4679 .027 .014 .013 .053 .006 .006 .007 |
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O8 .142 .2790 .1783 .024 .017 .016 .033 .004 .001 -.003 |
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O9 .1626 .038 .2404 .050 .046 .044 .043 .010 -.017 -.011 |
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OH10 0 0 .2972 .024 .012 .012 .047 .006 0 0 |
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OH11 0 0 .0921 .029 .004 .004 .08 .002 0 0 |
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OH12 0 0 .1607 .018 .011 .011 .033 .006 0 0 |
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OH13 0 0 .4096 .056 .073 .073 .021 .037 0 0 |
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NaVSi2O7 |
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Ullrich A, Miletich R, Nestola F, Weikusat C, Ohashi H |
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American Mineralogist 94 (2009) 557-564 |
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Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa |
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Note: P = 0.0001 GPa |
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_database_code_amcsd 0004897 |
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9.644 8.749 5.304 90 106.96 90 C2/c |
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atom x y z Uiso |
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Na 0 .3017 .25 .0147 |
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V 0 .9050 .25 .0062 |
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Si .2913 .0909 .2390 .0076 |
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O1 .1159 .0790 .1446 .0080 |
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O2 .3605 .2577 .3058 .0113 |
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O3 .3519 .0090 .0135 .0097 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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NaVSi2O7 |
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Ullrich A, Miletich R, Nestola F, Weikusat C, Ohashi H |
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American Mineralogist 94 (2009) 557-564 |
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Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa |
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Note: P = 1.52 GPa |
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_database_code_amcsd 0004898 |
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9.614 8.706 5.278 90 106.86 90 C2/c |
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atom x y z Uiso |
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Na 0 .3021 .25 .0165 |
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V 0 .9056 .25 .0078 |
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Si .2918 .0916 .2393 .0076 |
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O1 .1153 .0802 .1439 .0066 |
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O2 .3602 .2574 .3098 .0110 |
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O3 .3525 .0113 .0101 .089 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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NaVSi2O7 |
| |
Ullrich A, Miletich R, Nestola F, Weikusat C, Ohashi H |
| |
American Mineralogist 94 (2009) 557-564 |
|
Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa |
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Note: P = 3.47 GPa |
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_database_code_amcsd 0004899 |
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9.566 8.659 5.252 90 106.82 90 C2/c |
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atom x y z Uiso |
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Na 0 .3049 .25 .0151 |
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V 0 .9059 .25 .0072 |
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Si .2921 .0918 .2397 .0076 |
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O1 .1143 .0823 .1451 .0076 |
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O2 .3605 .2590 .3123 .0110 |
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O3 .3528 .0133 .0091 .0101 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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NaVSi2O7 |
| |
Ullrich A, Miletich R, Nestola F, Weikusat C, Ohashi H |
| |
American Mineralogist 94 (2009) 557-564 |
|
Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa |
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Note: P = 7.18 GPa |
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_database_code_amcsd 0004900 |
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9.496 8.568 5.201 90 106.25 90 C2/c |
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atom x y z Uiso |
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Na 0 .3064 .25 .0134 |
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V 0 .9068 .25 .0074 |
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Si .2922 .0930 .2401 .0067 |
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O1 .1157 .0831 .1455 .0061 |
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O2 .3596 .2605 .3183 .0102 |
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O3 .3553 .0168 .0044 .0090 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
|
NaVSi2O7 |
| |
Ullrich A, Miletich R, Nestola F, Weikusat C, Ohashi H |
| |
American Mineralogist 94 (2009) 557-564 |
|
Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa |
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Note: P = 9.39 GPa |
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_database_code_amcsd 0004901 |
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9.469 8.521 5.169 90 105.99 90 C2/c |
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atom x y z Uiso |
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Na 0 .3081 .25 .0134 |
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V 0 .9078 .25 .0062 |
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Si .2921 .0934 .2399 .0062 |
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O1 .1150 .0845 .1457 .0055 |
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O2 .3601 .2612 .3220 .0092 |
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O3 .3550 .0188 .0021 .0083 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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|
NaVSi2O7 |
| |
Ullrich A, Miletich R, Nestola F, Weikusat C, Ohashi H |
| |
American Mineralogist 94 (2009) 557-564 |
|
Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa |
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Note: P = 10.93 GPa |
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_database_code_amcsd 0004902 |
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9.453 8.490 5.150 90 105.89 90 C2/c |
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atom x y z Uiso |
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Na 0 .3097 .25 .0121 |
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V 0 .9076 .25 .0059 |
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Si .2920 .0937 .2400 .0067 |
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O1 .1153 .0844 .1459 .0043 |
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O2 .3605 .2607 .3238 .0096 |
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O3 .3563 .0193 .0005 .0082 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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| |
|
NaVSi2O7 |
| |
Ullrich A, Miletich R, Nestola F, Weikusat C, Ohashi H |
| |
American Mineralogist 94 (2009) 557-564 |
|
Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa |
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Note: P = 7.62 GPa |
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_database_code_amcsd 0004903 |
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9.483 8.565 5.193 90 106.13 90 C2/c |
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atom x y z Uiso |
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Na 0 .3068 .25 .0145 |
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V 0 .9072 .25 .0069 |
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Si .2921 .0928 .2399 .0069 |
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O1 .1154 .0829 .1457 .0062 |
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O2 .3615 .2594 .3200 .0087 |
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O3 .3558 .0176 .0037 .0095 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
NaVSi2O7 |
| |
Ullrich A, Miletich R, Nestola F, Weikusat C, Ohashi H |
| |
American Mineralogist 94 (2009) 557-564 |
|
Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa |
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Note: P = 4.61 GPa |
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_database_code_amcsd 0004904 |
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9.545 8.634 5.233 90 106.59 90 C2/c |
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atom x y z Uiso |
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Na 0 .3049 .25 .0158 |
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V 0 .9062 .25 .0069 |
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Si .2918 .0926 .2398 .0065 |
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O1 .1148 .0809 .1448 .0045 |
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O2 .3613 .2581 .3153 .0077 |
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O3 .3543 .0137 .0076 .0098 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
NaVSi2O7 |
| |
Ullrich A, Miletich R, Nestola F, Weikusat C, Ohashi H |
| |
American Mineralogist 94 (2009) 557-564 |
|
Lattice compression and structural behavior of NaVSi2O6 clinopyroxene to 11 GPa |
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Note: P = 6.10 GPa |
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_database_code_amcsd 0004905 |
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9.519 8.598 5.208 90 106.31 90 C2/c |
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atom x y z Uiso |
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Na 0 .3055 .25 .0142 |
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V 0 .9067 .25 .0061 |
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Si .2920 .0923 .2400 .0061 |
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O1 .1148 .0817 .1453 .0052 |
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O2 .3610 .2582 .3170 .0077 |
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O3 .3550 .0155 .0047 .0086 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure
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