The total number to display on this page is 25 25 matching records for this search.
the file_query is Select fileno, contents, cifcontents, journalKey, Mineral from Amc_Table where fileno in ('04966.amc', '04967.amc', '04968.amc', '09031.amc', '09032.amc', '09033.amc', '09365.amc', '09366.amc', '09367.amc', '09368.amc', '09369.amc', '09370.amc', '09371.amc', '09852.amc', '09853.amc', '09854.amc', '09855.amc', '09856.amc', '09857.amc', '09858.amc', '12360.amc', '15502.amc', '15503.amc', '18256.amc', '18257.amc') order by fileno
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Akermanite |
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Merlini M, Gemmi M, Hanfland M, Crichton W |
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American Mineralogist 94 (2009) 704-709 |
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High-pressure behavior of akermanite and gehlenite and phase stability |
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of the normal structures in melelites |
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Note: P = 5 GPa |
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Locality: synthetic |
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_database_code_amcsd 0004933 |
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7.740 7.740 4.932 90 90 90 P-42_1m |
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atom x y z |
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Mg 0 0 0 |
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Ca .3343 .1657 .5065 |
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Si .1416 .3584 .937 |
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O1 0 .5 -.195 |
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O2 .1438 .3562 .260 |
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O3 .0803 .1843 .782 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Akermanite |
 |
Merlini M, Gemmi M, Hanfland M, Crichton W |
 |
American Mineralogist 94 (2009) 704-709 |
|
High-pressure behavior of akermanite and gehlenite and phase stability |
|
of the normal structures in melelites |
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Note: P = 15 GPa |
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Locality: synthetic |
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_database_code_amcsd 0004934 |
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7.570 7.570 4.781 90 90 90 P-42_1m |
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atom x y z |
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Mg 0 0 0 |
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Ca .3371 .1629 .5042 |
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Si .1430 .3570 .9392 |
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O1 0 .5 -.198 |
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O2 .1421 .3579 .268 |
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O3 .0807 .1841 .774 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Akermanite |
 |
Merlini M, Gemmi M, Hanfland M, Crichton W |
 |
American Mineralogist 94 (2009) 704-709 |
|
High-pressure behavior of akermanite and gehlenite and phase stability |
|
of the normal structures in melelites |
|
Note: P = 15.7 GPa |
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Locality: synthetic |
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_database_code_amcsd 0004935 |
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8.82 7.34 9.13 90 115.1 90 P2_1/n |
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atom x y z |
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Mg .8107 .0997 .0926 |
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Si1 .8648 .4512 .2150 |
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Si2 .9575 .7554 .0731 |
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Ca1 .4593 .2794 .0294 |
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Ca2 .3028 .5638 .2121 |
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O1 .9975 .5618 .1593 |
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O2 .8801 .5221 .3791 |
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O3 .698 .4728 .041 |
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O4 .0049 .8800 .2257 |
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O5 .1263 .8208 .0662 |
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O6 .9530 .2625 .2856 |
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O7 .783 .7583 -.097 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Akermanite |
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Swainson I P, Dove M T, Schmahl W W, Putnis A |
| |
Physics and Chemistry of Minerals 19 (1992) 185-195 |
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Neutron powder diffraction study of the akermanite-gehlenite |
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solid solution series |
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Sample: 50% Ak |
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_database_code_amcsd 0007696 |
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7.7475 7.7475 5.0359 90 90 90 P-42_1m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .3369 .1631 .5093 .01141 .01141 -.00088 .00399 -.00134 -.00134 |
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MgT1 0 0 0 .46 .00420 .00420 .00177 0 0 0 |
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AlT1 0 0 0 .54 .00420 .00420 .00177 0 0 0 |
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AlT2 .1419 .3581 .9427 .225 .00537 .00537 -.00394 -.00037 -.00076 -.00076 |
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SiT2 .1419 .3581 .9427 .76 .00537 .00537 -.00394 -.00037 -.00076 -.00076 |
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O1 .5 0 .1782 .01082 .01082 -.00256 -.00612 0 0 |
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O2 .1423 .3577 .2676 .01207 .01207 -.00285 0 .00442 .00442 |
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O3 .0850 .1778 .7980 .01541 .00945 .00157 -.00212 -.00237 -.00153 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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Akermanite |
 |
Swainson I P, Dove M T, Schmahl W W, Putnis A |
| |
Physics and Chemistry of Minerals 19 (1992) 185-195 |
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Neutron powder diffraction study of the akermanite-gehlenite |
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solid solution series |
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Sample: 75% Ak |
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_database_code_amcsd 0007697 |
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7.7853 7.7853 5.0211 90 90 90 P-42_1m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .3345 .1655 .5083 .00985 .00985 .00595 .00416 -.00153 -.00153 |
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MgT1 0 0 0 .71 .00627 .00627 .00565 0 0 0 |
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AlT1 0 0 0 .29 .00627 .00627 .00565 0 0 0 |
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AlT2 .1407 .3593 .9370 .11 .00437 .00437 .00039 -.00070 -.00076 -.00076 |
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SiT2 .1407 .3593 .9370 .87 .00437 .00437 .00039 -.00070 -.00076 -.00076 |
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O1 .5 0 .1788 .00948 .00948 -.00138 -.00738 0 0 |
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O2 .1417 .3583 .2621 .00961 .00961 .00297 0 .00479 .00479 |
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O3 .0833 .1816 .7931 .01216 .00692 .00743 -.00255 .00358 -.00319 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
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Akermanite |
 |
Swainson I P, Dove M T, Schmahl W W, Putnis A |
| |
Physics and Chemistry of Minerals 19 (1992) 185-195 |
|
Neutron powder diffraction study of the akermanite-gehlenite |
|
solid solution series |
|
Sample: 100% Ak |
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_database_code_amcsd 0007698 |
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7.8288 7.8288 5.0052 90 90 90 P-42_1m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .3320 .168 .5050 .01093 .01093 .00628 .00469 -.00357 -.00357 |
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MgT1 0 0 0 .96 .00599 .00599 .01576 0 0 0 |
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SiT2 .1395 .3605 .9334 .00195 .00195 -.00020 .00020 -.00095 -.00095 |
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O1 .5 0 .1775 .01011 .01011 .00289 -.00868 0 0 |
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O2 .1409 .3591 .2547 .01007 .01007 .00399 0 .00695 .00695 |
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O3 .0816 .1870 .7879 .01627 .00444 .01257 -.00330 .00535 -.00274 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Akermanite |
 |
Yang H, Hazen R M, Downs R T, Finger L W |
| |
Physics and Chemistry of Minerals 24 (1997) 510-519 |
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Structural change associated with the incommensurate-normal phase transition |
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in akermanite, Ca2MgSi2O7, at high pressure |
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Sample: P = 0.0 GPa |
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_database_code_amcsd 0008030 |
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7.8338 7.8338 5.0082 90 90 90 P-42_1m |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .3324 .1676 .5065 1.80 .0081 .0081 .0141 .0049 .0008 .0008 |
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Mg 0 0 0 1.27 .0037 .0037 .0200 0 0 0 |
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Si .1396 .3604 .9358 .93 .0032 .0032 .0122 .0005 .0006 .0006 |
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O1 .5 0 .1799 2.1 .0104 .0104 .0130 -.0072 0 0 |
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O2 .1407 .3593 .2529 2.1 .0090 .0090 .0197 .0054 -.0011 -.0011 |
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O3 .0798 .1862 .7856 2.3 .0152 .0057 .0164 -.0012 .0032 -.0014 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Akermanite |
 |
Yang H, Hazen R M, Downs R T, Finger L W |
| |
Physics and Chemistry of Minerals 24 (1997) 510-519 |
|
Structural change associated with the incommensurate-normal phase transition |
|
in akermanite, Ca2MgSi2O7, at high pressure |
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Sample: P = 0.80 GPa |
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_database_code_amcsd 0008031 |
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7.8154 7.8154 4.9919 90 90 90 P-42_1m |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .3327 .1673 .5063 1.53 .0068 .0068 .0127 .0035 .0009 .0009 |
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Mg 0 0 0 .95 .0027 .0027 .0157 0 0 0 |
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Si .1398 .3602 .9354 .79 .0032 .0032 .0082 .0005 .0005 .0005 |
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O1 .5 0 .1827 1.8 .0096 .0096 .0060 -.0033 0 0 |
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O2 .1403 .3597 .2561 1.8 .0081 .0081 .0136 .0022 -.0014 -.0014 |
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O3 .0813 .1852 .7834 1.8 .0114 .0059 .0111 -.0021 .0037 -.0010 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Akermanite |
 |
Yang H, Hazen R M, Downs R T, Finger L W |
| |
Physics and Chemistry of Minerals 24 (1997) 510-519 |
|
Structural change associated with the incommensurate-normal phase transition |
|
in akermanite, Ca2MgSi2O7, at high pressure |
|
Sample: P = 1.25 GPa |
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_database_code_amcsd 0008032 |
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7.8071 7.8071 4.9821 90 90 90 P-42_1m |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .3329 .1671 .5065 1.34 .0057 .0057 .0127 .0025 .0005 .0005 |
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Mg 0 0 0 .90 .0022 .0022 .0166 0 0 0 |
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Si .1398 .3602 .9354 .71 .0032 .0032 .0057 .0009 .0002 .0002 |
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O1 .5 0 .1857 1.4 .0070 .0070 .0086 -.0034 0 0 |
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O2 .1402 .3598 .2570 1.7 .0060 .0060 .0206 .0025 -.0018 -.0018 |
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O3 .0814 .1849 .7828 1.6 .0090 .0038 .0164 -.0007 .0040 -.0002 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Akermanite |
 |
Yang H, Hazen R M, Downs R T, Finger L W |
| |
Physics and Chemistry of Minerals 24 (1997) 510-519 |
|
Structural change associated with the incommensurate-normal phase transition |
|
in akermanite, Ca2MgSi2O7, at high pressure |
|
Sample: P = 1.37 GPa |
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_database_code_amcsd 0008033 |
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7.8046 7.8046 4.9772 90 90 90 P-42_1m |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .3329 .1671 .5056 1.37 .0056 .0056 .0137 .0024 .0005 .0005 |
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Mg 0 0 0 .98 .0027 .0027 .0165 0 0 0 |
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Si .1403 .3597 .9343 .75 .0034 .0034 .0062 .0006 .0003 .0003 |
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O1 .5 0 .1839 1.5 .0062 .0062 .0156 -.0049 0 0 |
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O2 .1404 .3596 .2551 1.7 .0069 .0069 .0184 .0020 -.0012 -.0012 |
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O3 .0813 .1852 .7834 1.8 .0093 .0025 .0136 -.0006 .0030 -.0004 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Akermanite |
 |
Yang H, Hazen R M, Downs R T, Finger L W |
| |
Physics and Chemistry of Minerals 24 (1997) 510-519 |
|
Structural change associated with the incommensurate-normal phase transition |
|
in akermanite, Ca2MgSi2O7, at high pressure |
|
Sample: P = 1.80 GPa |
|
_database_code_amcsd 0008034 |
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7.7937 7.7937 4.9696 90 90 90 P-42_1m |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .3331 .1669 .5053 1.26 .0055 .0055 .0110 .0021 .0010 .0010 |
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Mg 0 0 0 .83 .0024 .0024 .0136 0 0 0 |
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Si .1404 .3596 .9346 .78 .0032 .0032 .0080 -.0001 -.0001 -.0001 |
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O1 .5 0 .1838 1.5 .0072 .0072 .0092 -.0042 0 0 |
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O2 .1404 .3596 .2558 1.5 .0059 .0059 .0152 .0021 -.0013 -.0013 |
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O3 .0813 .1853 .7819 1.3 .0081 .0032 .0105 -.0012 .0024 -.0022 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Akermanite |
 |
Yang H, Hazen R M, Downs R T, Finger L W |
| |
Physics and Chemistry of Minerals 24 (1997) 510-519 |
|
Structural change associated with the incommensurate-normal phase transition |
|
in akermanite, Ca2MgSi2O7, at high pressure |
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Sample: P = 2.78 GPa |
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Note: O2-z changed to match reported bond lengths |
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_database_code_amcsd 0008035 |
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7.7677 7.7677 4.9495 90 90 90 P-42_1m |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .3336 .1664 .5050 1.15 .0048 .0048 .0113 .0017 .0007 .0007 |
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Mg 0 0 0 .81 .0020 .0020 .0147 0 0 0 |
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Si .1405 .3595 .9348 .66 .0029 .0029 .0061 .0003 -.0001 -.0001 |
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O1 .5 0 .1837 1.4 .0077 .0077 .0050 -.0046 0 0 |
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O2 .1399 .3601 .2584 1.5 .0058 .0058 .0168 .0005 -.0023 -.0023 |
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O3 .0820 .1848 .7799 1.3 .0070 .0035 .0127 -.0008 .0027 -.0019 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Akermanite |
 |
Yang H, Hazen R M, Downs R T, Finger L W |
| |
Physics and Chemistry of Minerals 24 (1997) 510-519 |
|
Structural change associated with the incommensurate-normal phase transition |
|
in akermanite, Ca2MgSi2O7, at high pressure |
|
Sample: P = 3.79 GPa |
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_database_code_amcsd 0008036 |
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7.7494 7.7494 4.9328 90 90 90 P-42_1m |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .3340 .1660 .5050 1.04 .0042 .0042 .0112 .0016 .0006 .0006 |
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Mg 0 0 0 .76 .0019 .0019 .0138 0 0 0 |
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Si .1406 .3594 .9354 .53 .0026 .0026 .0038 .0005 -.0002 -.0002 |
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O1 .5 0 .1835 1.2 .0062 .0062 .0074 -.0029 0 0 |
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O2 .1396 .3604 .2601 1.5 .0050 .0050 .0217 .0015 -.0017 -.0017 |
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O3 .0822 .1839 .7783 1.1 .0062 .0022 .0134 -.0007 .0021 -.0016 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Akermanite |
 |
Kusaka K, Hagiya K, Ohmasa M, Okano Y, Mukai M, Iishi K, Haga N |
| |
Physics and Chemistry of Minerals 28 (2001) 150-166 |
|
Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 |
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in incommensurate and normal phases and observation of diffuse streaks at high temperature |
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Sample: T = 297 K |
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Melilite group |
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_database_code_amcsd 0008517 |
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7.8348 7.8348 5.0087 90 90 90 P-42_1m |
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atom x y z Biso |
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Mg 0 0 0 .70 |
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Ca .33180 .1682 .5066 1.38 |
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Si .1397 .3603 .9350 .61 |
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O1 0 .5 .820 2.1 |
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O2 .1402 .3598 .2551 1.53 |
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O3 .0825 .1870 .7883 1.9 |
|
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Akermanite |
 |
Kusaka K, Hagiya K, Ohmasa M, Okano Y, Mukai M, Iishi K, Haga N |
| |
Physics and Chemistry of Minerals 28 (2001) 150-166 |
|
Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 |
|
in incommensurate and normal phases and observation of diffuse streaks at high temperature |
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Sample: T = 348 K |
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Melilite group |
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_database_code_amcsd 0008518 |
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7.8387 7.8387 5.0079 90 90 90 P-42_1m |
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atom x y z Biso |
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Mg 0 0 0 .67 |
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Ca .33195 .16805 .5063 1.28 |
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Si .1398 .3602 .9345 .56 |
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O1 0 .5 .820 1.8 |
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O2 .1402 .3598 .2548 1.50 |
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O3 .0825 .1866 .7876 1.63 |
|
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Akermanite |
 |
Kusaka K, Hagiya K, Ohmasa M, Okano Y, Mukai M, Iishi K, Haga N |
| |
Physics and Chemistry of Minerals 28 (2001) 150-166 |
|
Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 |
|
in incommensurate and normal phases and observation of diffuse streaks at high temperature |
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Sample: T = 359.4 K |
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Melilite group |
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_database_code_amcsd 0008519 |
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7.8387 7.8387 5.0072 90 90 90 P-42_1m |
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atom x y z Biso |
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Mg 0 0 0 .63 |
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Ca .33205 .16795 .5060 1.17 |
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Si .1399 .3601 .9338 .51 |
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O1 0 .5 .818 1.5 |
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O2 .1403 .3597 .2545 1.42 |
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O3 .0827 .1864 .7871 1.41 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Akermanite |
 |
Kusaka K, Hagiya K, Ohmasa M, Okano Y, Mukai M, Iishi K, Haga N |
| |
Physics and Chemistry of Minerals 28 (2001) 150-166 |
|
Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 |
|
in incommensurate and normal phases and observation of diffuse streaks at high temperature |
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Sample: T = 359.7 K |
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Melilite group |
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_database_code_amcsd 0008520 |
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7.8398 7.8398 5.0058 90 90 90 P-42_1m |
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atom x y z Biso |
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Mg 0 0 0 .63 |
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Ca .33219 .16781 .5059 1.18 |
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Si .1398 .3602 .9338 .52 |
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O1 0 .5 .819 1.5 |
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O2 .1404 .3596 .2546 1.39 |
|
O3 .0826 .1863 .7871 1.42 |
|
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Akermanite |
 |
Kusaka K, Hagiya K, Ohmasa M, Okano Y, Mukai M, Iishi K, Haga N |
| |
Physics and Chemistry of Minerals 28 (2001) 150-166 |
|
Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 |
|
in incommensurate and normal phases and observation of diffuse streaks at high temperature |
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Sample: T = 413 K |
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Melilite group |
|
_database_code_amcsd 0008521 |
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7.8436 7.8436 5.0070 90 90 90 P-42_1m |
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atom x y z Biso |
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Mg 0 0 0 .72 |
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Ca .33220 .1678 .5057 1.27 |
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Si .1399 .3601 .9337 .59 |
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O1 0 .5 .820 1.5 |
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O2 .1405 .3595 .2544 1.47 |
|
O3 .0820 .1867 .7860 1.46 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Akermanite |
 |
Kusaka K, Hagiya K, Ohmasa M, Okano Y, Mukai M, Iishi K, Haga N |
| |
Physics and Chemistry of Minerals 28 (2001) 150-166 |
|
Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 |
|
in incommensurate and normal phases and observation of diffuse streaks at high temperature |
|
Sample: T = 463 K |
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Melilite group |
|
_database_code_amcsd 0008522 |
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7.8470 7.8470 5.0097 90 90 90 P-42_1m |
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atom x y z Biso |
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Mg 0 0 0 .75 |
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Ca .3320 .168 .5058 1.34 |
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Si .1398 .3602 .9337 .62 |
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O1 0 .5 .819 1.6 |
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O2 .1403 .3597 .2551 1.6 |
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O3 .0829 .1864 .7874 1.51 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
|
Akermanite |
 |
Kusaka K, Hagiya K, Ohmasa M, Okano Y, Mukai M, Iishi K, Haga N |
| |
Physics and Chemistry of Minerals 28 (2001) 150-166 |
|
Determination of structures of Ca2CoSi2O7, Ca2MgSi2O7, and Ca2(Mg.55Fe.45)Si2O7 |
|
in incommensurate and normal phases and observation of diffuse streaks at high temperature |
|
Sample: T = 513 K |
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Melilite group |
|
_database_code_amcsd 0008523 |
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7.8509 7.8509 5.0127 90 90 90 P-42_1m |
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atom x y z Biso |
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Mg 0 0 0 .84 |
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Ca .33205 .16795 .5058 1.48 |
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Si .1398 .3602 .9338 .70 |
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O1 0 .5 .820 1.7 |
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O2 .1404 .3596 .2541 1.75 |
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O3 .0821 .1871 .7872 1.63 |
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Akermanite |
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Warren B |
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Zeitschrift fur Kristallographie 74 (1930) 131-138 |
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The structure of melitite (Ca,Na)2(Mg,Al)(Si,Al)2O7 |
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_cod_database_code 1010215 |
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_database_code_amcsd 0017151 |
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7.73 7.73 5.01 90 90 90 P-42_1m |
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atom x y z |
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Ca .33 .17 -.49 |
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Si .14 .36 -.05 |
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Mg 0 0 0 |
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O1 .5 0 .19 |
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O2 .14 .36 .26 |
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O3 .08 .18 -.19 |
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Akermanite |
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Mokeeva V, Makarov E |
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Geokhimiya 10 (1979) 1541-1544 |
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Isomorph in melilites: refining of crystal structure |
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of akermanite and intermediate melilite |
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Locality: Capo di Bove, Italy |
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_database_code_amcsd 0017811 |
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7.760 7.760 5.029 90 90 90 P-42_1m |
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atom x y z occ Biso |
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Ca .3358 .1642 .5091 .75 1.2 |
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Na .3358 .1642 .5091 .25 1.2 |
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MgT1 0 0 0 .39 .68 |
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AlT1 0 0 0 .41 .68 |
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FeT1 0 0 0 .16 .68 |
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SiT2 .1406 .3594 .9416 .62 |
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O1 .5 0 .1775 1.25 |
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O2 .1414 .3586 .2604 1.37 |
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O3 .0833 .1833 .7985 1.42 |
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Akermanite |
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Mokeeva V, Makarov E |
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Geokhimiya 10 (1979) 1541-1544 |
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Isomorph in melilites: refining of crystal structure |
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of akermanite and intermediate melilite |
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Locality: Capo di Bove, Italy |
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_database_code_amcsd 0017812 |
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7.738 7.738 5.045 90 90 90 P-42_1m |
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atom x y z occ Biso |
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Ca .3369 .1631 .5112 .98 1.27 |
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Na .3369 .1631 .5112 .02 1.27 |
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MgT1 0 0 0 .24 .86 |
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AlT1 0 0 0 .04 .86 |
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FeT1 0 0 0 .12 .86 |
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SiT2 .1433 .3567 .9538 .65 .77 |
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AlT2 .1433 .3567 .9538 .31 .77 |
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O1 .5 0 .1798 1.33 |
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O2 .1409 .3591 .2730 1.28 |
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O3 .0851 .1748 .8017 1.38 |
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Akermanite |
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Kusaka K, Ohmasa M, Hagiya K, Iishi K, Haga N |
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Mineralogical Journal 20 (1998) 47-58 |
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On variety of the Ca coordination in the incommensurate structure of |
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synthetic iron-bearing akermanite, Ca2(Mg0.55,Fe0.45)Si2O7 |
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Note: Sample is synthetic, this is the structure obtained from a standard refinement |
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_database_code_amcsd 0014431 |
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7.8679 7.8679 5.0144 90 90 90 P-42_1m |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .3307 .1693 .5061 1.914 .00980 .00980 .0088 .0065 .0008 -.0008 |
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Mg 0 0 0 .554 1.00 .00404 .00404 .0099 0 0 0 |
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Fe 0 0 0 .446 1.00 .00404 .00404 .0099 0 0 0 |
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Si .1384 .3616 .9383 0.88 .00395 .00395 .0067 .0009 .00095 -.00095 |
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O1 0 .5 .825 3.51 .0202 .0202 .005 .016 0 0 |
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O2 .1390 .3610 .2570 2.25 .0125 .0125 .0055 .008 .00025 -.00025 |
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O3 .0795 .1898 .7891 2.97 .0243 .0058 .0143 -.0055 .009 -.0025 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
|   |
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Akermanite |
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Kusaka K, Ohmasa M, Hagiya K, Iishi K, Haga N |
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Mineralogical Journal 20 (1998) 47-58 |
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On variety of the Ca coordination in the incommensurate structure of |
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synthetic iron-bearing akermanite, Ca2(Mg0.55,Fe0.45)Si2O7 |
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Note: Sample is synthetic, this is the structure obtained by refining the incommensurate |
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structure |
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_database_code_amcsd 0014432 |
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7.8679 7.8679 5.0144 90 90 90 P-42_1m |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca .3307 .1693 .5061 .0064 .0064 .0070 .0033 .0008 -.0008 |
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Mg 0 0 0 .554 .0031 .0031 .0095 0 0 0 |
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Fe 0 0 0 .446 .0031 .0031 .0095 0 0 0 |
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Si .1384 .3616 .9383 .0027 .0027 .0049 .0007 .0002 -.0002 |
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O1 0 .5 .825 .0133 .0133 .0050 .0104 0 0 |
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O2 .1390 .3610 .2570 .0098 .0098 .0041 .0053 -.0005 .0005 |
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O3 .0795 .1898 .7891 .0122 .0038 .0099 -.0029 .0033 -.0008 |
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| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure (permalink) |
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