|
Calcite |
 |
Maslen E N, Streltsov V A, Streltsova N R |
 |
Acta Crystallographica B49 (1993) 636-641 |
|
X-ray study of the electron density in calcite, CaCO3 |
|
_database_code_amcsd 0009873 |
|
4.991 4.991 17.062 90 90 120 R-3c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 0 0 .01024 .01024 .0098 .00512 0 0 |
|
C 0 0 .25 .0091 .0091 .0106 .00455 0 0 |
|
O .2573 0 .25 .0115 .0222 .0195 .0111 -.0040 -.0080 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hematite |
|
Maslen E N, Streltsov V A, Streltsova N R, Ishizawa N |
|
Acta Crystallographica B50 (1994) 435-441 |
|
Synchrotron X-ray study of the electron density in alpha-Fe2O3 |
|
Locality: synthetic |
|
Note: crystal 1 |
|
Note: conventional refinement |
|
_database_code_amcsd 0017806 |
|
5.0355 5.0355 13.7471 90 90 120 R-3c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe 0 0 .35522 .00368 0 .00366 0 0 0 |
|
O .69395 0 .25 .00411 .00465 .00434 0 .00052 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hematite |
|
Maslen E N, Streltsov V A, Streltsova N R, Ishizawa N |
|
Acta Crystallographica B50 (1994) 435-441 |
|
Synchrotron X-ray study of the electron density in alpha-Fe2O3 |
|
Locality: synthetic |
|
Note: crystal 2 |
|
Note: conventional refinement |
|
_database_code_amcsd 0017807 |
|
5.0355 5.0355 13.7471 90 90 120 R-3c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe 0 0 .35528 .00334 0 .00344 0 0 0 |
|
O .69397 0 .25 .00376 .00417 .00416 0 .00059 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Hematite |
|
Maslen E N, Streltsov V A, Streltsova N R, Ishizawa N |
|
Acta Crystallographica B50 (1994) 435-441 |
|
Synchrotron X-ray study of the electron density in alpha-Fe2O3 |
|
Locality: synthetic |
|
Note: crystal 2 |
|
Note: multipole refinement |
|
_database_code_amcsd 0017808 |
|
5.0355 5.0355 13.7471 90 90 120 R-3c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe 0 0 .35528 .00330 0 .00335 0 0 0 |
|
O .69389 0 .25 .00379 .00402 .00426 0 .00056 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Calcite |
|
Maslen E N, Streltsov V A, Streltsova N R, Ishizawa N |
|
Acta Crystallographica B51 (1995) 929-939 |
|
Electron density and optical anisotropy in rhombohedral carbonates. |
|
III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3 |
|
_database_code_amcsd 0009890 |
|
4.988 4.988 17.068 90 90 120 R-3c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Ca 0 0 0 .00988 .00988 .00932 .00494 0 0 |
|
C 0 0 .25 .00834 .00834 .0108 .00417 0 0 |
|
O .25700 0 .25 .01129 .0220 .0202 .0110 -.00424 -.00848 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Rhodochrosite |
|
Maslen E N, Streltsov V A, Streltsova N R, Ishizawa N |
|
Acta Crystallographica B51 (1995) 929-939 |
|
Electron density and optical anisotropy in rhombohedral carbonates. |
|
III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3 |
|
Sample: Synchrotron data |
|
_database_code_amcsd 0009891 |
|
4.772 4.772 15.637 90 90 120 R-3c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn 0 0 0 .00944 .00944 .01125 .00472 0 0 |
|
C 0 0 .25 .0081 .0081 .0099 .00405 0 0 |
|
O .26975 0 .25 .0085 .0117 .0148 .00585 -.00099 -.00198 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Rhodochrosite |
|
Maslen E N, Streltsov V A, Streltsova N R, Ishizawa N |
|
Acta Crystallographica B51 (1995) 929-939 |
|
Electron density and optical anisotropy in rhombohedral carbonates. |
|
III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3 |
|
Sample: Mo Kalpha |
|
_database_code_amcsd 0009892 |
|
4.773 4.773 15.642 90 90 120 R-3c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mn 0 0 0 .00777 .00777 .00966 .003885 0 0 |
|
C 0 0 .25 .0064 .0064 .0074 .0032 0 0 |
|
O .2695 0 .25 .0068 .0103 .0123 .005015 -.0009 -.0018 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnesite |
|
Maslen E N, Streltsov V A, Streltsova N R, Ishizawa N |
|
Acta Crystallographica B51 (1995) 929-939 |
|
Electron density and optical anisotropy in rhombohedral carbonates. |
|
III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3 |
|
_database_code_amcsd 0009893 |
|
4.632 4.632 15.002 90 90 120 R-3c |
|
atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg 0 0 0 .00623 .00623 .0075 .003115 0 0 |
|
C 0 0 .25 .0056 .0056 .0059 .0028 0 0 |
|
O .27748 0 .25 .00548 .0077 .0096 .00385 -.00057 -.00114 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
