|
Chalcocite |
 |
Tomeoka K, Ohmasa M |
 |
American Mineralogist 67 (1982) 360-372 |
|
The modulated structure of cubic Cu9BiS6 |
|
the alpha phase |
|
_database_code_amcsd 0000864 |
|
5.563 5.563 5.563 90 90 90 Fm3m |
|
atom x y z occ Biso |
|
Bi .5 .5 .5 .138 4.86 |
|
Cu1 .2787 .2787 .2787 .109 1.59 |
|
Cu2 .3333 .3333 .3333 .059 2.47 |
|
S 0 0 0 1.45 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ca2CoSi2O7 |
| |
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 0008508 |
|
7.8444 7.8444 5.0265 90 90 90 P-42_1m |
|
atom x y z Biso |
|
Co 0 0 0 .81 |
|
Ca .3310 .1690 .5060 1.80 |
|
Si .1391 .3609 .9383 .74 |
|
O1 0 .5 .823 3.3 |
|
O2 .1399 .3601 .2554 1.8 |
|
O3 .0795 .1896 .7864 2.6 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ca2CoSi2O7 |
| |
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 = 393 K |
|
Melilite group |
|
_database_code_amcsd 0008509 |
|
7.8507 7.8507 5.0281 90 90 90 P-42_1m |
|
atom x y z Biso |
|
Co 0 0 0 1.17 |
|
Ca .33117 .16883 .5058 2.10 |
|
Si .1391 .3609 .9378 1.06 |
|
O1 0 .5 .824 3.2 |
|
O2 .1403 .3597 .2553 2.29 |
|
O3 .0799 .1895 .7861 2.8 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ca2CoSi2O7 |
| |
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 = 468 K |
|
Melilite group |
|
_database_code_amcsd 0008510 |
|
7.8563 7.8563 5.0294 90 90 90 P-42_1m |
|
atom x y z Biso |
|
Co 0 0 0 1.23 |
|
Ca .3314 .1686 .5047 2.04 |
|
Si .1391 .3609 .9375 1.09 |
|
O1 0 .5 .821 3.3 |
|
O2 .1406 .3594 .2544 2.26 |
|
O3 .0805 .1891 .7849 2.9 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ca2CoSi2O7 |
| |
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 = 493 K |
|
Melilite group |
|
_database_code_amcsd 0008511 |
|
7.8590 7.8590 5.0260 90 90 90 P-42_1m |
|
atom x y z Biso |
|
Co 0 0 0 1.02 |
|
Ca .3316 .1684 .5050 1.76 |
|
Si .1392 .3608 .9364 .84 |
|
O1 0 .5 .822 2.5 |
|
O2 .1404 .3596 .2540 2.0 |
|
O3 .0812 .1889 .7851 2.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ca2CoSi2O7 |
| |
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 = 503 K |
|
Melilite group |
|
_database_code_amcsd 0008512 |
|
7.8591 7.8591 5.0258 90 90 90 P-42_1m |
|
atom x y z Biso |
|
Co 0 0 0 1.07 |
|
Ca .3315 .1685 .5049 1.82 |
|
Si .1392 .3608 .9362 .91 |
|
O1 0 .5 .822 2.6 |
|
O2 .1403 .3597 .2541 2.13 |
|
O3 .0811 .1884 .7852 2.3 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ca2CoSi2O7 |
| |
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 = 533 K |
|
Melilite group |
|
_database_code_amcsd 0008513 |
|
7.8615 7.8615 5.0268 90 90 90 P-42_1m |
|
atom x y z Biso |
|
Co 0 0 0 1.07 |
|
Ca .3315 .1685 .5049 1.81 |
|
Si .1392 .3608 .9361 .89 |
|
O1 0 .5 .823 2.5 |
|
O2 .1400 .3600 .2545 2.06 |
|
O3 .0810 .1887 .7852 2.16 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ca2CoSi2O7 |
| |
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 = 573 K |
|
Melilite group |
|
_database_code_amcsd 0008514 |
|
7.8656 7.8656 5.0289 90 90 90 P-42_1m |
|
atom x y z Biso |
|
Co 0 0 0 1.23 |
|
Ca .33150 .1685 .5044 1.99 |
|
Si .1392 .3608 .9362 1.03 |
|
O1 0 .5 .823 2.7 |
|
O2 .1406 .3594 .2547 2.24 |
|
O3 .0811 .1884 .7852 2.41 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ca2CoSi2O7 |
| |
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 = 673 K |
|
Melilite group |
|
_database_code_amcsd 0008515 |
|
7.8732 7.8732 5.0336 90 90 90 P-42_1m |
|
atom x y z Biso |
|
Co 0 0 0 1.42 |
|
Ca .33153 .16847 .5049 2.23 |
|
Si .1391 .3609 .9362 1.17 |
|
O1 0 .5 .824 2.8 |
|
O2 .1401 .3599 .2542 2.50 |
|
O3 .0808 .1891 .7853 2.56 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ca2CoSi2O7 |
| |
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 = 773 K |
|
Melilite group |
|
_database_code_amcsd 0008516 |
|
7.8815 7.8815 5.0387 90 90 90 P-42_1m |
|
atom x y z Biso |
|
Co 0 0 0 1.65 |
|
Ca .33150 .1685 .5047 2.51 |
|
Si .1390 .361 .9364 1.33 |
|
O1 0 .5 .824 3.0 |
|
O2 .1404 .3596 .2545 2.85 |
|
O3 .0809 .1892 .7855 2.82 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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
|
| |
|
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
|
| |
|
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
|
| |
|
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
|
| |
|
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
|
| |
|
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
|
| |
|
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 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ca2(Mg.55Fe.45)Si2O7 |
| |
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 0008524 |
|
7.8679 7.8679 5.0144 90 90 90 P-42_1m |
|
atom x y z occ Biso |
|
Mg 0 0 0 .55 .98 |
|
Fe 0 0 0 .45 .98 |
|
Ca .3307 .1693 .5061 1.91 |
|
Si .1384 .3616 .9383 .89 |
|
O1 0 .5 .825 3.4 |
|
O2 .1390 .361 .2570 2.20 |
|
O3 .0795 .1898 .7891 3.0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ca2(Mg.55Fe.45)Si2O7 |
| |
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 = 383 K |
|
Melilite group |
|
_database_code_amcsd 0008525 |
|
7.8743 7.8743 5.0155 90 90 90 P-42_1m |
|
atom x y z occ Biso |
|
Mg 0 0 0 .55 1.13 |
|
Fe 0 0 0 .45 1.13 |
|
Ca .3308 .1692 .5062 1.96 |
|
Si .1384 .3616 .9379 .95 |
|
O1 0 .5 .825 3.4 |
|
O2 .1389 .3611 .2570 2.20 |
|
O3 .0801 .1898 .7893 2.9 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ca2(Mg.55Fe.45)Si2O7 |
| |
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 = 423 K |
|
Melilite group |
|
_database_code_amcsd 0008526 |
|
7.8776 7.8776 5.0153 90 90 90 P-42_1m |
|
atom x y z occ Biso |
|
Mg 0 0 0 .55 1.19 |
|
Fe 0 0 0 .45 1.19 |
|
Ca .3309 .1691 .5063 1.97 |
|
Si .1384 .3616 .9376 .97 |
|
O1 0 .5 .824 3.3 |
|
O2 .1392 .3608 .2565 2.4 |
|
O3 .0807 .1896 .7895 2.9 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ca2(Mg.55Fe.45)Si2O7 |
| |
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 = 503 K |
|
Melilite group |
|
_database_code_amcsd 0008527 |
|
7.8868 7.8868 5.0171 90 90 90 P-42_1m |
|
atom x y z occ Biso |
|
Mg 0 0 0 .55 1.30 |
|
Fe 0 0 0 .45 1.30 |
|
Ca .33118 .16882 .5060 2.03 |
|
Si .1386 .3614 .9369 1.05 |
|
O1 0 .5 .824 3.1 |
|
O2 .1395 .3605 .2561 2.56 |
|
O3 .0806 .1891 .7885 2.8 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Ca2(Mg.55Fe.45)Si2O7 |
| |
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 = 523 K |
|
Melilite group |
|
_database_code_amcsd 0008528 |
|
7.8855 7.8855 5.0170 90 90 90 P-42_1m |
|
atom x y z occ Biso |
|
Mg 0 0 0 .55 1.32 |
|
Fe 0 0 0 .45 1.32 |
|
Ca .33119 .16881 .5059 2.04 |
|
Si .1387 .3613 .9369 1.07 |
|
O1 0 .5 .824 3.0 |
|
O2 .1395 .3605 .2557 2.59 |
|
O3 .0805 .1891 .7886 2.8 |
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Ca2(Mg.55Fe.45)Si2O7 |
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Kusaka K, Hagiya K, Ohmasa M, Okano Y, Mukai M, Iishi K, Haga N |
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Physics and Chemistry of Minerals 28 (2001) 150-166 |
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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 = 543 K |
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Melilite group |
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_database_code_amcsd 0008529 |
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7.8859 7.8859 5.0179 90 90 90 P-42_1m |
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atom x y z occ Biso |
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Mg 0 0 0 .55 1.37 |
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Fe 0 0 0 .45 1.37 |
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Ca .33119 .16881 .5058 2.07 |
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Si .1386 .3614 .9369 1.10 |
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O1 0 .5 .824 3.0 |
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O2 .1395 .3605 .2559 2.62 |
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O3 .0810 .1890 .7888 2.8 |
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Ca2(Mg.55Fe.45)Si2O7 |
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Kusaka K, Hagiya K, Ohmasa M, Okano Y, Mukai M, Iishi K, Haga N |
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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 = 573 K |
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Melilite group |
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_database_code_amcsd 0008530 |
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7.8875 7.8875 5.0191 90 90 90 P-42_1m |
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atom x y z occ Biso |
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Mg 0 0 0 .55 1.53 |
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Fe 0 0 0 .45 1.53 |
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Ca .33122 .16878 .5058 2.18 |
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Si .1386 .3614 .9372 1.21 |
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O1 0 .5 .825 2.9 |
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O2 .1395 .3605 .2559 2.79 |
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O3 .0807 .1890 .7888 2.9 |
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Ca2(Mg.55Fe.45)Si2O7 |
| |
Kusaka K, Hagiya K, Ohmasa M, Okano Y, Mukai M, Iishi K, Haga N |
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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 = 673 K |
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Melilite group |
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_database_code_amcsd 0008531 |
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7.8958 7.8958 5.0223 90 90 90 P-42_1m |
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atom x y z occ Biso |
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Mg 0 0 0 .55 1.84 |
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Fe 0 0 0 .45 1.84 |
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Ca .3313 .1687 .5059 2.34 |
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Si .1385 .3615 .9377 1.34 |
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O1 0 .5 .825 3.3 |
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O2 .1393 .3607 .2556 2.9 |
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O3 .0813 .1897 .7889 2.9 |
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View JMOL 3-D Structure
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|
Ca2(Mg.55Fe.45)Si2O7 |
| |
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 = 773 K |
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Melilite group |
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_database_code_amcsd 0008532 |
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7.8989 7.8989 5.0237 90 90 90 P-42_1m |
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atom x y z occ Biso |
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Mg 0 0 0 .55 2.98 |
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Fe 0 0 0 .45 2.98 |
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Ca .3308 .1692 .5063 2.72 |
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Si .1380 .362 .9415 1.71 |
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O1 0 .5 .828 3.8 |
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O2 .1384 .3616 .258 3.5 |
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O3 .0807 .1906 .7919 3.7 |
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Wallisite |
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Takeuchi Y, Ohmasa M |
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Zeitschrift fur Kristallographie 127 (1968) 349-365 |
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The crystal structure of wallisite, PbTlCuAs2S5, |
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the Cu analogue of hatchite PbTlAgAs2S5 |
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Locality: Lengenbach quarry, Binnatal, Switzerland |
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_database_code_amcsd 0010669 |
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9.215 8.524 7.980 55.983 62.500 69.400 P-1 |
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atom x y z occ Biso |
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Pb1 .4034 .7518 .3053 .5 2.61 |
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Tl1 .4034 .7518 .3053 .5 2.61 |
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Pb2 .1248 .3088 .4189 .5 4.15 |
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Tl2 .1248 .3088 .4189 .5 4.15 |
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Cu .0846 .1168 .0508 3.35 |
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As1 .1910 .5436 .8876 2.25 |
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As2 .3632 .9058 .7645 2.34 |
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S1 .4538 .6253 .7363 1.68 |
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S2 .2406 .3672 .7337 2.09 |
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S3 .4206 .1260 .1485 2.26 |
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S4 .0745 .8267 .6736 2.05 |
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S5 .1686 .8057 .0965 1.70 |
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Aikinite |
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Ohmasa M, Nowacki W |
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Zeitschrift fur Kristallographie 132 (1970) 71-86 |
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A redetermination of the crystal structure of aikinite [BiS2|S|CuIVPbVII] |
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Locality: Beresowsk, Ural |
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_database_code_amcsd 0010716 |
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11.638 4.039 11.319 90 90 90 Pnma |
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atom x y z Biso |
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Bi .0189 1/4 0.6827 2.53 |
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S1 .7160 1/4 0.6986 1.87 |
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S2 .0467 1/4 0.1400 2.11 |
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S3 .3775 1/4 0.0559 2.10 |
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Cu .2338 1/4 0.2085 3.75 |
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Pb .8329 1/4 0.0105 3.13 |
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Vrbaite |
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Ohmasa M, Nowacki W |
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Zeitschrift fur Kristallographie 134 (1971) 360-380 |
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The crystal structure of vrbaite, Hg3Tl4As8Sb2S20 |
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Locality: Allchar, Macedonia |
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_database_code_amcsd 0010725 |
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11.287 23.389 13.399 90 90 90 Aba2 |
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atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Hg1 0 0 0 .00483 .00077 .00095 -.00042 0 0 |
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Hg2 .07614 .05623 .50323 .00576 .00116 .00140 -.00091 -.00114 .00063 |
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Tl1 .20730 .38707 .25336 .00731 .00088 .00334 .00051 -.00022 .00009 |
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Tl2 .43836 .27189 .24997 .00562 .00137 .00222 .00100 .00053 .00041 |
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As1 .09991 .05352 .24328 .00223 .00031 .00101 .00004 -.00013 -.00007 |
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As2 .39537 .04862 .26024 .00195 .00047 .00053 .00005 -.00008 .00000 |
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As3 .40562 .30217 .50620 .00191 .00033 .00067 -.00002 -.00022 -.00013 |
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As4 .10902 .29338 .50094 .00150 .00045 .00078 -.00003 .00017 -.00015 |
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Sb .28910 .15836 .49086 .00294 .00045 .00189 -.00043 .00020 -.00016 |
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S1 .0102 .0906 .1097 .00419 .00046 .00099 .00033 -.00103 -.00006 |
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S2 .1801 .4954 .3828 .00314 .00079 .00077 .00005 -.00010 .00026 |
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S3 .2481 .3643 .5030 .00258 .00035 .00238 .00023 -.00035 -.00003 |
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S4 .1761 .4996 .1266 .00434 .00039 .00111 -.00017 .00025 -.00008 |
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S5 .4783 .1662 .3916 .00245 .00059 .00098 -.00010 -.00017 -.00012 |
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S6 .1880 .2343 .3839 .00205 .00064 .00096 .00004 -.00006 -.00011 |
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S7 .2526 .1185 .2577 .00295 .00037 .00152 .00006 -.00023 -.00019 |
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S8 .4777 .4092 .3594 .00309 .00080 .00089 -.00052 -.00004 -.00004 |
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S9 .4772 .1571 .1160 .00369 .00061 .00139 -.00046 .00102 -.00009 |
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S10 .1715 .2349 .1144 .00281 .00051 .00079 .00018 -.00015 -.00003 |
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|
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Covellite |
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Ohmasa M, Suzuki M, Takeuchi Y |
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Mineralogical Journal 8 (1977) 311-319 |
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A refinement of the crystal structure of covellite, CuS |
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Locality: Kosaka mine, Akita Prefecture, Japan |
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_database_code_amcsd 0014418 |
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3.796 3.796 16.382 90 90 120 P6_3/mmc |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Cu1 1/3 2/3 .75 .0322 .0322 .0412 .0161 0 0 |
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Cu2 1/3 2/3 .10724 .0166 .0166 .0139 .0083 0 0 |
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S1 1/3 2/3 .25 .0259 .0259 .0117 .01295 0 0 |
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S2 0 0 .0637 .0115 .0115 .0096 .00575 0 0 |
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|
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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)
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|
| |
|
Akermanite |
|
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 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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