|
Forsterite |
 |
Hushur A, Manghnani M H, Smyth J R, Nestola F, Frost D J |
| |
American Mineralogist 94 (2009) 751-760 |
|
Crystal chemistry of hydrous forsterite and its vibrational properties up to 41 GPa |
|
Locality: synthetic |
|
Sample: Anhydrous Fo100 |
|
_database_code_amcsd 0004936 |
|
4.7552 10.1985 5.9822 90 90 90 Pbnm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .0 .0 .0 .997 .00651 .0060 .0080 .0056 .0 .0 .0 |
|
Mg2 .99148 .27747 .25 .999 .00629 .0067 .0056 .0066 .0 .0 .00015 |
|
Si1 .42643 .09402 .25 .995 .00456 .0040 .0048 .0049 .0 .0 .00004 |
|
O1 .7660 .09150 .25 .0057 .0039 .0069 .0063 .0 .0 .0001 |
|
O2 .2217 .44710 .25 .0056 .0056 .0047 .0064 .0 .0 -.0000 |
|
O3 .2775 .16305 .03313 .00606 .0057 .0069 .0056 .0014 -.0003 .0002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Forsterite |
|
Hushur A, Manghnani M H, Smyth J R, Nestola F, Frost D J |
| |
American Mineralogist 94 (2009) 751-760 |
|
Crystal chemistry of hydrous forsterite and its vibrational properties up to 41 GPa |
|
Locality: synthetic |
|
Sample: SZ0408A |
|
_database_code_amcsd 0004937 |
|
4.7545 10.2068 5.9863 90 90 90 Pbnm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .0 .0 .0 .984 .00728 .0064 .0090 .00638 .0 .0 .0 |
|
Mg2 .99130 .27702 .25 1.002 .00725 .0073 .00638 .0081 .0 .0 .00028 |
|
Si .42626 .09377 .25 .994 .00515 .00425 .00561 .00558 .0 .0 .00004 |
|
O1 .7661 .09134 .25 .00593 .0042 .0074 .0062 .0 .0 -.0001 |
|
O2 .2217 .44673 .25 .00640 .0063 .0057 .0072 .0 .0 -.0004 |
|
O3 .27705 .16301 .03280 .00662 .0061 .0073 .0064 .0011 .0001 -.0000 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Forsterite |
|
Hushur A, Manghnani M H, Smyth J R, Nestola F, Frost D J |
| |
American Mineralogist 94 (2009) 751-760 |
|
Crystal chemistry of hydrous forsterite and its vibrational properties up to 41 GPa |
|
Locality: synthetic |
|
Sample: SZ0408B |
|
_database_code_amcsd 0004938 |
|
4.7547 10.20416 5.98494 90 90 90 Pbnm |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .0 .0 .0 .990 .0075 .0065 .0089 .0070 .0 .0 .0 |
|
Mg2 .9911 .27714 .25 1.001 .0078 .0074 .0070 .0090 .0 .0 .0000 |
|
Si .4263 .09380 .25 .993 .0060 .0047 .0061 .0073 .0 .0 .0002 |
|
O1 .7659 .0914 .25 .0065 .0047 .0072 .0076 .0 .0 .0006 |
|
O2 .2216 .4469 .25 .0070 .0067 .0063 .0079 .0 .0 -.0005 |
|
O3 .2774 .16284 .0330 .0074 .0066 .0073 .0082 .0012 -.0003 .0005 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnetite |
|
Nakagiri N, Manghnani M H, Ming L C, Kimura S |
| |
Physics and Chemistry of Minerals 13 (1986) 238-244 |
|
Crystal structure of magnetite under pressure |
|
Sample: P = 0.0001 GPa |
|
_database_code_amcsd 0007418 |
|
8.3949 8.3949 8.3949 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso |
|
Fe .125 .125 .125 .34 |
|
Fe .5 .5 .5 .46 |
|
O .2549 .2549 .2549 .49 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnetite |
|
Nakagiri N, Manghnani M H, Ming L C, Kimura S |
| |
Physics and Chemistry of Minerals 13 (1986) 238-244 |
|
Crystal structure of magnetite under pressure |
|
Sample: P = .63 GPa |
|
_database_code_amcsd 0007419 |
|
8.3862 8.3862 8.3862 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso |
|
Fe .125 .125 .125 .90 |
|
Fe .5 .5 .5 1.09 |
|
O .2539 .2539 .2539 .54 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnetite |
|
Nakagiri N, Manghnani M H, Ming L C, Kimura S |
| |
Physics and Chemistry of Minerals 13 (1986) 238-244 |
|
Crystal structure of magnetite under pressure |
|
Sample: P = 1.55 GPa |
|
_database_code_amcsd 0007420 |
|
8.3740 8.3740 8.3740 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso |
|
Fe .125 .125 .125 .85 |
|
Fe .5 .5 .5 1.04 |
|
O .2540 .2540 .2540 .76 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnetite |
|
Nakagiri N, Manghnani M H, Ming L C, Kimura S |
| |
Physics and Chemistry of Minerals 13 (1986) 238-244 |
|
Crystal structure of magnetite under pressure |
|
Sample: P = 2.09 GPa |
|
_database_code_amcsd 0007421 |
|
8.3656 8.3656 8.3656 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso |
|
Fe .125 .125 .125 .91 |
|
Fe .5 .5 .5 1.17 |
|
O .2537 .2537 .2537 .27 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnetite |
|
Nakagiri N, Manghnani M H, Ming L C, Kimura S |
| |
Physics and Chemistry of Minerals 13 (1986) 238-244 |
|
Crystal structure of magnetite under pressure |
|
Sample: P = 2.76 GPa |
|
_database_code_amcsd 0007422 |
|
8.3557 8.3557 8.3557 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso |
|
Fe .125 .125 .125 .77 |
|
Fe .5 .5 .5 .83 |
|
O .2547 .2547 .2547 1.22 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnetite |
|
Nakagiri N, Manghnani M H, Ming L C, Kimura S |
| |
Physics and Chemistry of Minerals 13 (1986) 238-244 |
|
Crystal structure of magnetite under pressure |
|
Sample: P = 3.67 GPa |
|
_database_code_amcsd 0007423 |
|
8.3440 8.3440 8.3440 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso |
|
Fe .125 .125 .125 .85 |
|
Fe .5 .5 .5 1.27 |
|
O .2535 .2535 .2535 .27 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnetite |
|
Nakagiri N, Manghnani M H, Ming L C, Kimura S |
| |
Physics and Chemistry of Minerals 13 (1986) 238-244 |
|
Crystal structure of magnetite under pressure |
|
Sample: P = 4.44 GPa |
|
_database_code_amcsd 0007424 |
|
8.3332 8.3332 8.3332 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso |
|
Fe .125 .125 .125 .86 |
|
Fe .5 .5 .5 1.04 |
|
O .2540 .2540 .2540 .89 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Phase A |
| |
Holl C M, Smyth J R, Manghnani M H, Amulele G M, |
|
Sekar M, Frost D J, Prakapenka V B, Shen G |
| |
Physics and Chemistry of Minerals 33 (2006) 192-199 |
|
Crystal structure and compression of an iron-bearing Phase A to 33 GPa |
|
_database_code_amcsd 0009025 |
|
7.8678 7.8678 9.5771 90 90 120 P6_3 |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Mg1 .37273 .45537 .3843 .981 .0045 .0028 .0040 .0067 .0017 -.0024 -.0005 |
|
Fe1 .37273 .45537 .3843 .019 .0045 .0028 .0040 .0067 .0017 -.0024 -.0005 |
|
Mg2 .22477 .24370 .1120 .983 .0035 .0026 .0024 .0048 .0007 -.0003 -.0010 |
|
Fe2 .22477 .24370 .1120 .017 .0035 .0026 .0024 .0048 .0007 -.0003 -.0010 |
|
Mg3 1/3 2/3 .1020 .325 .0132 .0129 .0129 .0139 .0065 0 0 |
|
Fe3 1/3 2/3 .1020 .009 .0132 .0129 .0129 .0139 .0065 0 0 |
|
Si1 2/3 1/3 .1730 .0026 .0017 .0018 .0044 .0009 0 0 |
|
Si2 0 0 .4007 .0041 .0042 .0042 .0040 .0021 0 0 |
|
O1 .2013 .0276 -.0230 .0047 .0046 .0027 .0074 .0024 .0014 .0003 |
|
O2 .4761 .0988 .4842 .0057 .0039 .0038 .0091 .0016 -.0013 .0000 |
|
O3 .4541 .2936 .2328 .0063 .0057 .0077 .0056 .0034 .0044 -.0018 |
|
O4 .1703 .4364 .2394 .0059 .0063 .0046 .0056 .0019 -.0017 .0012 |
|
O5 2/3 1/3 0 .0036 .0024 .0024 .0060 .0012 0 0 |
|
O6 0 0 .2329 .0057 .0048 .0048 .0076 .0024 0 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryllium |
| |
Ming L C, Manghnani M H |
| |
Journal of Physics F: Metal Physics 14 (1984) 1-8 |
|
Isothermal compression and phase transition in beryllium to 28.3 GPa |
|
Locality: synthetic |
|
Sample: at P = .001 GPa |
|
Note: BeI phase |
|
_database_code_amcsd 0013182 |
|
2.280 2.280 3.600 90 90 120 P6_3/mmc |
|
atom x y z |
|
Be 1/3 2/3 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryllium |
| |
Ming L C, Manghnani M H |
| |
Journal of Physics F: Metal Physics 14 (1984) 1-8 |
|
Isothermal compression and phase transition in beryllium to 28.3 GPa |
|
Locality: synthetic |
|
Sample: at P = 5 GPa |
|
Note: BeI phase |
|
_database_code_amcsd 0013183 |
|
2.2526 2.2526 3.5064 90 90 120 P6_3/mmc |
|
atom x y z |
|
Be 1/3 2/3 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryllium |
| |
Ming L C, Manghnani M H |
| |
Journal of Physics F: Metal Physics 14 (1984) 1-8 |
|
Isothermal compression and phase transition in beryllium to 28.3 GPa |
|
Locality: synthetic |
|
Sample: at P = 8.6 GPa |
|
Note: BeI phase |
|
_database_code_amcsd 0013184 |
|
2.2504 2.2504 3.4776 90 90 120 P6_3/mmc |
|
atom x y z |
|
Be 1/3 2/3 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryllium |
| |
Ming L C, Manghnani M H |
| |
Journal of Physics F: Metal Physics 14 (1984) 1-8 |
|
Isothermal compression and phase transition in beryllium to 28.3 GPa |
|
Locality: synthetic |
|
Sample: at P = 11.5 GPa |
|
Note: BeI phase |
|
_database_code_amcsd 0013185 |
|
2.2207 2.2207 3.4488 90 90 120 P6_3/mmc |
|
atom x y z |
|
Be 1/3 2/3 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryllium |
| |
Ming L C, Manghnani M H |
| |
Journal of Physics F: Metal Physics 14 (1984) 1-8 |
|
Isothermal compression and phase transition in beryllium to 28.3 GPa |
|
Locality: synthetic |
|
Sample: at P = 14.5 GPa |
|
Note: BeII phase, slightly distorded HCP |
|
_database_code_amcsd 0013186 |
|
4.4278 4.4278 3.4740 90 90 120 P6_3/mmc |
|
atom x y z |
|
Be 1/3 2/3 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryllium |
| |
Ming L C, Manghnani M H |
| |
Journal of Physics F: Metal Physics 14 (1984) 1-8 |
|
Isothermal compression and phase transition in beryllium to 28.3 GPa |
|
Locality: synthetic |
|
Sample: at P = 19.5 GPa |
|
Note: BeII phase, slightly distorded HCP |
|
_database_code_amcsd 0013187 |
|
4.4004 4.4004 3.4020 90 90 120 P6_3/mmc |
|
atom x y z |
|
Be 1/3 2/3 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryllium |
| |
Ming L C, Manghnani M H |
| |
Journal of Physics F: Metal Physics 14 (1984) 1-8 |
|
Isothermal compression and phase transition in beryllium to 28.3 GPa |
|
Locality: synthetic |
|
Sample: at P = 22 GPa |
|
Note: BeII phase, slightly distorded HCP |
|
_database_code_amcsd 0013188 |
|
4.3799 4.3799 3.3912 90 90 120 P6_3/mmc |
|
atom x y z |
|
Be 1/3 2/3 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryllium |
| |
Ming L C, Manghnani M H |
| |
Journal of Physics F: Metal Physics 14 (1984) 1-8 |
|
Isothermal compression and phase transition in beryllium to 28.3 GPa |
|
Locality: synthetic |
|
Sample: at P = 25.5 GPa |
|
Note: BeII phase, slightly distorded HCP |
|
_database_code_amcsd 0013189 |
|
4.3571 4.3571 3.4020 90 90 120 P6_3/mmc |
|
atom x y z |
|
Be 1/3 2/3 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Beryllium |
| |
Ming L C, Manghnani M H |
| |
Journal of Physics F: Metal Physics 14 (1984) 1-8 |
|
Isothermal compression and phase transition in beryllium to 28.3 GPa |
|
Locality: synthetic |
|
Sample: at P = 28.3 GPa |
|
Note: BeII phase, slightly distorded HCP |
|
_database_code_amcsd 0013190 |
|
4.3890 4.3890 3.3768 90 90 120 P6_3/mmc |
|
atom x y z |
|
Be 1/3 2/3 .25 |
|
|
| 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.
