|
Qandilite |
 |
Millard R L, Peterson R C, Hunter B K |
 |
American Mineralogist 80 (1995) 885-896 |
|
Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by |
|
17O MAS NMR and Rietveld refinement of X-ray diffraction data |
|
Sample: RLM445, 1405 C, Mg2TiO4 |
|
_database_code_amcsd 0001746 |
|
8.44183 8.44183 8.44183 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ti .125 .125 .125 .036 .53 |
|
Mg .125 .125 .125 .964 .53 |
|
Ti .5 .5 .5 .482 .41 |
|
Mg .5 .5 .5 .518 .41 |
|
O .2616 .2616 .2616 .62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Qandilite |
|
Millard R L, Peterson R C, Hunter B K |
|
American Mineralogist 80 (1995) 885-896 |
|
Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by |
|
17O MAS NMR and Rietveld refinement of X-ray diffraction data |
|
Sample: RLM509, 1210 C, Mg2TiO4 |
|
_database_code_amcsd 0001747 |
|
8.46948 8.46948 8.46948 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Ti .125 .125 .125 .002 .21 |
|
Mg .125 .125 .125 .998 .21 |
|
Ti .5 .5 .5 .499 .31 |
|
Mg .5 .5 .5 .501 .31 |
|
O .2606 .2606 .2606 .92 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Millard R L, Peterson R C, Hunter B K |
|
American Mineralogist 80 (1995) 885-896 |
|
Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by |
|
17O MAS NMR and Rietveld refinement of X-ray diffraction data |
|
Sample: RLM526, 555 C, Zn2TiO4 |
|
_database_code_amcsd 0001748 |
|
8.47056 8.47056 8.47056 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Zn .125 .125 .125 .38 |
|
Ti .5 .5 .5 .5 .47 |
|
Zn .5 .5 .5 .5 .47 |
|
O .2599 .2599 .2599 .72 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Millard R L, Peterson R C, Hunter B K |
|
American Mineralogist 80 (1995) 885-896 |
|
Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by |
|
17O MAS NMR and Rietveld refinement of X-ray diffraction data |
|
Sample: RLM510, 490 C, Zn2TiO4 |
|
_database_code_amcsd 0001749 |
|
8.4608 8.4608 8.4608 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
Zn .125 .125 .125 .19 |
|
Ti .5 .5 .5 .5 .29 |
|
Zn .5 .5 .5 .5 .29 |
|
O .2604 .2604 .2604 .04 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Qandilite |
|
Millard R L, Peterson R C, Hunter B K |
|
American Mineralogist 80 (1995) 885-896 |
|
Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by |
|
17O MAS NMR and Rietveld refinement of X-ray diffraction data |
|
Sample: RLM446, Mg2TiO4 |
|
_database_code_amcsd 0001750 |
|
5.97705 5.97705 8.4161 90 90 90 P4_122 |
|
atom x y z occ Biso |
|
Mg .2518 .2518 .375 .34 |
|
Ti1 0 .2502 0 .074 .32 |
|
Mg1 0 .2502 0 .926 .32 |
|
Ti2 .5 .2391 0 .926 .34 |
|
Mg2 .5 .2391 0 .074 .34 |
|
O1 -.0264 .7368 .2526 .29 |
|
O2 .5188 .2610 .2329 .31 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Qandilite |
|
Millard R L, Peterson R C, Hunter B K |
|
American Mineralogist 80 (1995) 885-896 |
|
Study of the cubic to tetragonal transition in Mg2TiO4 and Zn2TiO4 spinels by |
|
17O MAS NMR and Rietveld refinement of X-ray diffraction data |
|
Sample: RLM510, Mg2TiO4 |
|
_database_code_amcsd 0001751 |
|
6.00689 6.00689 8.41547 90 90 90 P4_122 |
|
atom x y z occ Biso |
|
Mg .2529 .2529 .375 .19 |
|
Ti1 0 .2385 0 .087 .29 |
|
Mg1 0 .2385 0 .913 .29 |
|
Ti2 .5 .2470 0 .913 .29 |
|
Mg2 .5 .2470 0 .087 .29 |
|
O1 -.0252 .7305 .2500 .04 |
|
O2 .5131 .2638 .2307 .04 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgGa2O4 |
| |
Millard R L, Peterson R C, Swainson I P |
| |
Physics and Chemistry of Minerals 27 (2000) 179-193 |
|
Synthetic MgGa2O4-Mg2GeO4 spinel solid solution and beta-Mg3Ga2GeO8: |
|
chemistry, crystal structures, cation ordering, and comparison to Mg2GeO4 olivine |
|
Sample: RLM808, quenched from T = 1402 C |
|
Locality: synthetic |
|
_database_code_amcsd 0008399 |
|
8.2891 8.2891 8.2891 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
MgT .125 .125 .125 .12 .41 |
|
GaT .125 .125 .125 .88 .41 |
|
GaM .5 .5 .5 .56 .27 |
|
MgM .5 .5 .5 .44 .27 |
|
O .2567 .2567 .2567 .50 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mg1.1Ga1.8Ge.1O4 |
| |
Millard R L, Peterson R C, Swainson I P |
| |
Physics and Chemistry of Minerals 27 (2000) 179-193 |
|
Synthetic MgGa2O4-Mg2GeO4 spinel solid solution and beta-Mg3Ga2GeO8: |
|
chemistry, crystal structures, cation ordering, and comparison to Mg2GeO4 olivine |
|
Sample: RLM801, quenched from T = 1402 C |
|
Locality: synthetic |
|
_database_code_amcsd 0008400 |
|
8.2984 8.2984 8.2984 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
GaT .125 .125 .125 .64 .40 |
|
GeT .125 .125 .125 .10 .40 |
|
MgT .125 .125 .125 .26 .40 |
|
GaM .5 .5 .5 .58 .32 |
|
MgM .5 .5 .5 .42 .32 |
|
O .2571 .2571 .2571 .49 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mg1.2Ga1.6Ge.2O4 |
| |
Millard R L, Peterson R C, Swainson I P |
| |
Physics and Chemistry of Minerals 27 (2000) 179-193 |
|
Synthetic MgGa2O4-Mg2GeO4 spinel solid solution and beta-Mg3Ga2GeO8: |
|
chemistry, crystal structures, cation ordering, and comparison to Mg2GeO4 olivine |
|
Sample: RLM802, quenched from T = 1401 C |
|
Locality: synthetic |
|
_database_code_amcsd 0008401 |
|
8.3007 8.3007 8.3007 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
GaT .125 .125 .125 .44 .34 |
|
GeT .125 .125 .125 .20 .34 |
|
MgT .125 .125 .125 .36 .34 |
|
GaM .5 .5 .5 .58 .36 |
|
MgM .5 .5 .5 .42 .36 |
|
O .2567 .2567 .2567 .52 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mg1.25Ga1.5Ge.25O4 |
| |
Millard R L, Peterson R C, Swainson I P |
| |
Physics and Chemistry of Minerals 27 (2000) 179-193 |
|
Synthetic MgGa2O4-Mg2GeO4 spinel solid solution and beta-Mg3Ga2GeO8: |
|
chemistry, crystal structures, cation ordering, and comparison to Mg2GeO4 olivine |
|
Sample: RLM813, quenched from T = 1400 C |
|
Locality: synthetic |
|
_database_code_amcsd 0008402 |
|
8.3026 8.3026 8.3026 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Biso |
|
GaT .125 .125 .125 .37 .42 |
|
GeT .125 .125 .125 .25 .42 |
|
MgT .125 .125 .125 .38 .42 |
|
GaM .5 .5 .5 .565 .34 |
|
MgM .5 .5 .5 .435 .34 |
|
O .2570 .2570 .2570 .59 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Mg3Ga2GeO8 |
| |
Millard R L, Peterson R C, Swainson I P |
| |
Physics and Chemistry of Minerals 27 (2000) 179-193 |
|
Synthetic MgGa2O4-Mg2GeO4 spinel solid solution and beta-Mg3Ga2GeO8: |
|
chemistry, crystal structures, cation ordering, and comparison to Mg2GeO4 olivine |
|
Sample: RLM812, beta-Mg3Ga2GeO8 spinelloid, quenched from T = 1350 C |
|
Locality: synthetic |
|
_database_code_amcsd 0008403 |
|
5.8236 11.8162 8.3304 90 90 90 Imma |
|
atom x y z occ Biso |
|
MgM1 0 0 0 .5 .28 |
|
GaM1 0 0 0 .5 .28 |
|
MgM2 0 .25 .9760 .96 .28 |
|
GaM2 0 .25 .9760 .04 .28 |
|
MgM3 .25 .1291 .25 .77 .28 |
|
GaM3 .25 .1291 .25 .23 .28 |
|
GaT 0 .1162 .6186 .5 .30 |
|
GeT 0 .1162 .6186 .5 .30 |
|
O1 0 .25 .2265 .46 |
|
O2 0 .25 .7349 .46 |
|
O3 0 .0059 .2491 .46 |
|
O4 .2423 .1227 .0027 .46 |
|
|
| 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.
