|
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 = 5 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004933 |
|
7.740 7.740 4.932 90 90 90 P-42_1m |
|
atom x y z |
|
Mg 0 0 0 |
|
Ca .3343 .1657 .5065 |
|
Si .1416 .3584 .937 |
|
O1 0 .5 -.195 |
|
O2 .1438 .3562 .260 |
|
O3 .0803 .1843 .782 |
|
|
| 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 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004934 |
|
7.570 7.570 4.781 90 90 90 P-42_1m |
|
atom x y z |
|
Mg 0 0 0 |
|
Ca .3371 .1629 .5042 |
|
Si .1430 .3570 .9392 |
|
O1 0 .5 -.198 |
|
O2 .1421 .3579 .268 |
|
O3 .0807 .1841 .774 |
|
|
| 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 |
|
Locality: synthetic |
|
_database_code_amcsd 0004935 |
|
8.82 7.34 9.13 90 115.1 90 P2_1/n |
|
atom x y z |
|
Mg .8107 .0997 .0926 |
|
Si1 .8648 .4512 .2150 |
|
Si2 .9575 .7554 .0731 |
|
Ca1 .4593 .2794 .0294 |
|
Ca2 .3028 .5638 .2121 |
|
O1 .9975 .5618 .1593 |
|
O2 .8801 .5221 .3791 |
|
O3 .698 .4728 .041 |
|
O4 .0049 .8800 .2257 |
|
O5 .1263 .8208 .0662 |
|
O6 .9530 .2625 .2856 |
|
O7 .783 .7583 -.097 |
|
|
| 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 |
|
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: 50% Ak |
|
_database_code_amcsd 0007696 |
|
7.7475 7.7475 5.0359 90 90 90 P-42_1m |
|
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 |
|
AlT2 .1419 .3581 .9427 .225 .00537 .00537 -.00394 -.00037 -.00076 -.00076 |
|
SiT2 .1419 .3581 .9427 .76 .00537 .00537 -.00394 -.00037 -.00076 -.00076 |
|
O1 .5 0 .1782 .01082 .01082 -.00256 -.00612 0 0 |
|
O2 .1423 .3577 .2676 .01207 .01207 -.00285 0 .00442 .00442 |
|
O3 .0850 .1778 .7980 .01541 .00945 .00157 -.00212 -.00237 -.00153 |
|
|
| 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 |
|
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: 75% Ak |
|
_database_code_amcsd 0007697 |
|
7.7853 7.7853 5.0211 90 90 90 P-42_1m |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .3345 .1655 .5083 .00985 .00985 .00595 .00416 -.00153 -.00153 |
|
MgT1 0 0 0 .71 .00627 .00627 .00565 0 0 0 |
|
AlT1 0 0 0 .29 .00627 .00627 .00565 0 0 0 |
|
AlT2 .1407 .3593 .9370 .11 .00437 .00437 .00039 -.00070 -.00076 -.00076 |
|
SiT2 .1407 .3593 .9370 .87 .00437 .00437 .00039 -.00070 -.00076 -.00076 |
|
O1 .5 0 .1788 .00948 .00948 -.00138 -.00738 0 0 |
|
O2 .1417 .3583 .2621 .00961 .00961 .00297 0 .00479 .00479 |
|
O3 .0833 .1816 .7931 .01216 .00692 .00743 -.00255 .00358 -.00319 |
|
|
| 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 |
|
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 |
|
_database_code_amcsd 0007698 |
|
7.8288 7.8288 5.0052 90 90 90 P-42_1m |
|
atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .3320 .168 .5050 .01093 .01093 .00628 .00469 -.00357 -.00357 |
|
MgT1 0 0 0 .96 .00599 .00599 .01576 0 0 0 |
|
SiT2 .1395 .3605 .9334 .00195 .00195 -.00020 .00020 -.00095 -.00095 |
|
O1 .5 0 .1775 .01011 .01011 .00289 -.00868 0 0 |
|
O2 .1409 .3591 .2547 .01007 .01007 .00399 0 .00695 .00695 |
|
O3 .0816 .1870 .7879 .01627 .00444 .01257 -.00330 .00535 -.00274 |
|
|
| 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 = 0.0 GPa |
|
_database_code_amcsd 0008030 |
|
7.8338 7.8338 5.0082 90 90 90 P-42_1m |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .3324 .1676 .5065 1.80 .0081 .0081 .0141 .0049 .0008 .0008 |
|
Mg 0 0 0 1.27 .0037 .0037 .0200 0 0 0 |
|
Si .1396 .3604 .9358 .93 .0032 .0032 .0122 .0005 .0006 .0006 |
|
O1 .5 0 .1799 2.1 .0104 .0104 .0130 -.0072 0 0 |
|
O2 .1407 .3593 .2529 2.1 .0090 .0090 .0197 .0054 -.0011 -.0011 |
|
O3 .0798 .1862 .7856 2.3 .0152 .0057 .0164 -.0012 .0032 -.0014 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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 = 0.80 GPa |
|
_database_code_amcsd 0008031 |
|
7.8154 7.8154 4.9919 90 90 90 P-42_1m |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .3327 .1673 .5063 1.53 .0068 .0068 .0127 .0035 .0009 .0009 |
|
Mg 0 0 0 .95 .0027 .0027 .0157 0 0 0 |
|
Si .1398 .3602 .9354 .79 .0032 .0032 .0082 .0005 .0005 .0005 |
|
O1 .5 0 .1827 1.8 .0096 .0096 .0060 -.0033 0 0 |
|
O2 .1403 .3597 .2561 1.8 .0081 .0081 .0136 .0022 -.0014 -.0014 |
|
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 |
|
_database_code_amcsd 0008032 |
|
7.8071 7.8071 4.9821 90 90 90 P-42_1m |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .3329 .1671 .5065 1.34 .0057 .0057 .0127 .0025 .0005 .0005 |
|
Mg 0 0 0 .90 .0022 .0022 .0166 0 0 0 |
|
Si .1398 .3602 .9354 .71 .0032 .0032 .0057 .0009 .0002 .0002 |
|
O1 .5 0 .1857 1.4 .0070 .0070 .0086 -.0034 0 0 |
|
O2 .1402 .3598 .2570 1.7 .0060 .0060 .0206 .0025 -.0018 -.0018 |
|
O3 .0814 .1849 .7828 1.6 .0090 .0038 .0164 -.0007 .0040 -.0002 |
|
|
| 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 |
|
_database_code_amcsd 0008033 |
|
7.8046 7.8046 4.9772 90 90 90 P-42_1m |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .3329 .1671 .5056 1.37 .0056 .0056 .0137 .0024 .0005 .0005 |
|
Mg 0 0 0 .98 .0027 .0027 .0165 0 0 0 |
|
Si .1403 .3597 .9343 .75 .0034 .0034 .0062 .0006 .0003 .0003 |
|
O1 .5 0 .1839 1.5 .0062 .0062 .0156 -.0049 0 0 |
|
O2 .1404 .3596 .2551 1.7 .0069 .0069 .0184 .0020 -.0012 -.0012 |
|
O3 .0813 .1852 .7834 1.8 .0093 .0025 .0136 -.0006 .0030 -.0004 |
|
|
| 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 |
|
7.7937 7.7937 4.9696 90 90 90 P-42_1m |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .3331 .1669 .5053 1.26 .0055 .0055 .0110 .0021 .0010 .0010 |
|
Mg 0 0 0 .83 .0024 .0024 .0136 0 0 0 |
|
Si .1404 .3596 .9346 .78 .0032 .0032 .0080 -.0001 -.0001 -.0001 |
|
O1 .5 0 .1838 1.5 .0072 .0072 .0092 -.0042 0 0 |
|
O2 .1404 .3596 .2558 1.5 .0059 .0059 .0152 .0021 -.0013 -.0013 |
|
O3 .0813 .1853 .7819 1.3 .0081 .0032 .0105 -.0012 .0024 -.0022 |
|
|
| 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 = 2.78 GPa |
|
Note: O2-z changed to match reported bond lengths |
|
_database_code_amcsd 0008035 |
|
7.7677 7.7677 4.9495 90 90 90 P-42_1m |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .3336 .1664 .5050 1.15 .0048 .0048 .0113 .0017 .0007 .0007 |
|
Mg 0 0 0 .81 .0020 .0020 .0147 0 0 0 |
|
Si .1405 .3595 .9348 .66 .0029 .0029 .0061 .0003 -.0001 -.0001 |
|
O1 .5 0 .1837 1.4 .0077 .0077 .0050 -.0046 0 0 |
|
O2 .1399 .3601 .2584 1.5 .0058 .0058 .0168 .0005 -.0023 -.0023 |
|
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 |
|
_database_code_amcsd 0008036 |
|
7.7494 7.7494 4.9328 90 90 90 P-42_1m |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
Ca .3340 .1660 .5050 1.04 .0042 .0042 .0112 .0016 .0006 .0006 |
|
Mg 0 0 0 .76 .0019 .0019 .0138 0 0 0 |
|
Si .1406 .3594 .9354 .53 .0026 .0026 .0038 .0005 -.0002 -.0002 |
|
O1 .5 0 .1835 1.2 .0062 .0062 .0074 -.0029 0 0 |
|
O2 .1396 .3604 .2601 1.5 .0050 .0050 .0217 .0015 -.0017 -.0017 |
|
O3 .0822 .1839 .7783 1.1 .0062 .0022 .0134 -.0007 .0021 -.0016 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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 = 297 K |
|
Melilite group |
|
_database_code_amcsd 0008517 |
|
7.8348 7.8348 5.0087 90 90 90 P-42_1m |
|
atom x y z Biso |
|
Mg 0 0 0 .70 |
|
Ca .33180 .1682 .5066 1.38 |
|
Si .1397 .3603 .9350 .61 |
|
O1 0 .5 .820 2.1 |
|
O2 .1402 .3598 .2551 1.53 |
|
O3 .0825 .1870 .7883 1.9 |
|
|
| 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 = 348 K |
|
Melilite group |
|
_database_code_amcsd 0008518 |
|
7.8387 7.8387 5.0079 90 90 90 P-42_1m |
|
atom x y z Biso |
|
Mg 0 0 0 .67 |
|
Ca .33195 .16805 .5063 1.28 |
|
Si .1398 .3602 .9345 .56 |
|
O1 0 .5 .820 1.8 |
|
O2 .1402 .3598 .2548 1.50 |
|
O3 .0825 .1866 .7876 1.63 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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 = 359.4 K |
|
Melilite group |
|
_database_code_amcsd 0008519 |
|
7.8387 7.8387 5.0072 90 90 90 P-42_1m |
|
atom x y z Biso |
|
Mg 0 0 0 .63 |
|
Ca .33205 .16795 .5060 1.17 |
|
Si .1399 .3601 .9338 .51 |
|
O1 0 .5 .818 1.5 |
|
O2 .1403 .3597 .2545 1.42 |
|
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 |
|
Sample: T = 359.7 K |
|
Melilite group |
|
_database_code_amcsd 0008520 |
|
7.8398 7.8398 5.0058 90 90 90 P-42_1m |
|
atom x y z Biso |
|
Mg 0 0 0 .63 |
|
Ca .33219 .16781 .5059 1.18 |
|
Si .1398 .3602 .9338 .52 |
|
O1 0 .5 .819 1.5 |
|
O2 .1404 .3596 .2546 1.39 |
|
O3 .0826 .1863 .7871 1.42 |
|
|
| 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 = 413 K |
|
Melilite group |
|
_database_code_amcsd 0008521 |
|
7.8436 7.8436 5.0070 90 90 90 P-42_1m |
|
atom x y z Biso |
|
Mg 0 0 0 .72 |
|
Ca .33220 .1678 .5057 1.27 |
|
Si .1399 .3601 .9337 .59 |
|
O1 0 .5 .820 1.5 |
|
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 |
|
Melilite group |
|
_database_code_amcsd 0008522 |
|
7.8470 7.8470 5.0097 90 90 90 P-42_1m |
|
atom x y z Biso |
|
Mg 0 0 0 .75 |
|
Ca .3320 .168 .5058 1.34 |
|
Si .1398 .3602 .9337 .62 |
|
O1 0 .5 .819 1.6 |
|
O2 .1403 .3597 .2551 1.6 |
|
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 |
|
Melilite group |
|
_database_code_amcsd 0008523 |
|
7.8509 7.8509 5.0127 90 90 90 P-42_1m |
|
atom x y z Biso |
|
Mg 0 0 0 .84 |
|
Ca .33205 .16795 .5058 1.48 |
|
Si .1398 .3602 .9338 .70 |
|
O1 0 .5 .820 1.7 |
|
O2 .1404 .3596 .2541 1.75 |
|
O3 .0821 .1871 .7872 1.63 |
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View JMOL 3-D Structure (permalink) |
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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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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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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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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
| |
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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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| Download AMC data (View Text File)
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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) |
| |
|
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)
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View JMOL 3-D Structure (permalink) |
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