|
delta-AlOOD |
| |
Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E |
| |
American Mineralogist 93 (2008) 1558-1567 |
|
Neutron diffraction study of delta-AlOOD at high pressure and its implication |
|
for symmetrization of the hydrogen bond |
|
Note: P = 0.0001 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004662 |
|
4.7179 4.2361 2.8323 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
|
Al 0 .277 0 .0050 |
|
O1 .339 .501 0 .0053 |
|
O2 .645 .000 0 .0053 |
|
D .521 .191 0 .744 .0138 |
|
H .521 .191 0 .256 .0138 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
delta-AlOOD |
| |
Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E |
| |
American Mineralogist 93 (2008) 1558-1567 |
|
Neutron diffraction study of delta-AlOOD at high pressure and its implication |
|
for symmetrization of the hydrogen bond |
|
Note: P = 0.6 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004663 |
|
4.7112 4.2284 2.8296 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
|
Al 0 .274 0 .0063 |
|
O1 .339 .499 0 .0053 |
|
O2 .643 .000 0 .0053 |
|
D .518 .194 0 .744 .0135 |
|
H .518 .194 0 .256 .0135 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
delta-AlOOD |
| |
Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E |
| |
American Mineralogist 93 (2008) 1558-1567 |
|
Neutron diffraction study of delta-AlOOD at high pressure and its implication |
|
for symmetrization of the hydrogen bond |
|
Note: P = 2.0 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004664 |
|
4.6969 4.2133 2.8243 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
|
Al 0 .274 0 .0039 |
|
O1 .343 .498 0 .0054 |
|
O2 .647 .001 0 .0054 |
|
D .522 .195 0 .744 .0118 |
|
H .522 .195 0 .256 .0118 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
delta-AlOOD |
| |
Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E |
| |
American Mineralogist 93 (2008) 1558-1567 |
|
Neutron diffraction study of delta-AlOOD at high pressure and its implication |
|
for symmetrization of the hydrogen bond |
|
Note: P = 3.5 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004665 |
|
4.6827 4.1962 2.8181 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
|
Al 0 .271 0 .0051 |
|
O1 .341 .496 0 .0051 |
|
O2 .645 .003 0 .0051 |
|
D .519 .198 0 .744 .0128 |
|
H .519 .198 0 .256 .0128 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
delta-AlOOD |
| |
Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E |
| |
American Mineralogist 93 (2008) 1558-1567 |
|
Neutron diffraction study of delta-AlOOD at high pressure and its implication |
|
for symmetrization of the hydrogen bond |
|
Note: P = 4.7 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004666 |
|
4.6706 4.1836 2.8129 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
|
Al 0 .271 0 .0052 |
|
O1 .338 .498 0 .0063 |
|
O2 .643 .004 0 .0063 |
|
D .517 .200 0 .744 .0149 |
|
H .517 .200 0 .256 .0149 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
delta-AlOOD |
| |
Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E |
| |
American Mineralogist 93 (2008) 1558-1567 |
|
Neutron diffraction study of delta-AlOOD at high pressure and its implication |
|
for symmetrization of the hydrogen bond |
|
Note: P = 6.0 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004667 |
|
4.6601 4.1711 2.8076 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
|
Al 0 .270 0 .0058 |
|
O1 .336 .495 0 .0057 |
|
O2 .640 .003 0 .0057 |
|
D .515 .203 0 .744 .0146 |
|
H .515 .203 0 .256 .0146 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
delta-AlOOD |
| |
Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E |
| |
American Mineralogist 93 (2008) 1558-1567 |
|
Neutron diffraction study of delta-AlOOD at high pressure and its implication |
|
for symmetrization of the hydrogen bond |
|
Note: P = 7.0 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004668 |
|
4.6506 4.1610 2.8033 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
|
Al 0 .270 0 .0040 |
|
O1 .341 .493 0 .0046 |
|
O2 .644 .004 0 .0046 |
|
D .513 .207 0 .744 .0134 |
|
H .513 .207 0 .256 .0134 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
delta-AlOOD |
| |
Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E |
| |
American Mineralogist 93 (2008) 1558-1567 |
|
Neutron diffraction study of delta-AlOOD at high pressure and its implication |
|
for symmetrization of the hydrogen bond |
|
Note: P = 7. 9 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004669 |
|
4.6432 4.1529 2.8000 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
|
Al 0 .267 0 .0037 |
|
O1 .342 .494 0 .0040 |
|
O2 .645 .005 0 .0040 |
|
D .513 .209 0 .744 .0117 |
|
H .513 .209 0 .256 .0117 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
delta-AlOOD |
| |
Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E |
| |
American Mineralogist 93 (2008) 1558-1567 |
|
Neutron diffraction study of delta-AlOOD at high pressure and its implication |
|
for symmetrization of the hydrogen bond |
|
Note: P = 8.4 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004670 |
|
4.6393 4.1477 2.7978 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
|
Al 0 .265 0 .0043 |
|
O1 .347 .494 0 .0042 |
|
O2 .648 .006 0 .0042 |
|
D .517 .212 0 .744 .0130 |
|
H .517 .212 0 .256 .0130 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
delta-AlOOD |
| |
Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E |
| |
American Mineralogist 93 (2008) 1558-1567 |
|
Neutron diffraction study of delta-AlOOD at high pressure and its implication |
|
for symmetrization of the hydrogen bond |
|
Note: P = 8.9 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004671 |
|
4.6357 4.1434 2.7961 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
|
Al 0 .265 0 .0048 |
|
O1 .341 .492 0 .0037 |
|
O2 .643 .007 0 .0037 |
|
D .511 .215 0 .744 .0127 |
|
H .511 .215 0 .256 .0127 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
delta-AlOOD |
| |
Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E |
| |
American Mineralogist 93 (2008) 1558-1567 |
|
Neutron diffraction study of delta-AlOOD at high pressure and its implication |
|
for symmetrization of the hydrogen bond |
|
Note: P = 9.2 GPa |
|
Locality: synthetic |
|
_database_code_amcsd 0004672 |
|
4.6328 4.1401 2.7947 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
|
Al 0 .265 0 .0046 |
|
O1 .343 .492 0 .0038 |
|
O2 .646 .007 0 .0038 |
|
D .513 .212 0 .744 .0128 |
|
H .513 .212 0 .256 .0128 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
AlOOH |
| |
Vanpeteghem C B, Sano A, Komatsu K, Ohtani E, Suzuki A |
| |
Physics and Chemistry of Minerals 34 (2007) 657-661 |
|
Neutron diffraction study of aluminous hydroxide d-AlOOD |
|
_database_code_amcsd 0009112 |
|
4.71236 4.23110 2.82890 90 90 90 P2_1nm |
|
atom x y z occ Uiso |
|
Al 0 .2760 0 .0021 |
|
O1 .3410 .5016 0 .0027 |
|
O2 .6459 -.0022 0 .0034 |
|
D .5180 .1923 0 .744 .0111 |
|
H .5180 .1923 0 .256 .0111 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
 |
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.0 |
|
Note: P = 0.0001 GPa |
|
_database_code_amcsd 0017759 |
|
5.4271 14.7619 5.5978 90 90 90 Pnma |
|
atom x y z Biso |
|
Ca .4810 .1081 .0226 0.73 |
|
FeM 0 0 0 .36 |
|
FeT .9451 .250 .9335 .44 |
|
O1 .2633 .9821 .2368 .47 |
|
O2 .0227 .1406 .0731 .88 |
|
O3 .6001 .250 .8737 .53 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.0 |
|
Note: P = 2.249 GPa |
|
_database_code_amcsd 0017760 |
|
5.3956 14.6756 5.5703 90 90 90 Pnma |
|
atom x y z Biso |
|
Ca .4803 .1082 .0224 .65 |
|
FeM 0 0 0 .35 |
|
FeT .9457 .250 .9347 .41 |
|
O1 .2629 .9830 .2371 .42 |
|
O2 .0255 .1394 .0741 .89 |
|
O3 .5976 .250 .8737 .42 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.0 |
|
Note: P = 3.863 GPa |
|
_database_code_amcsd 0017761 |
|
5.3744 14.6175 5.5526 90 90 90 Pnma |
|
atom x y z Biso |
|
Ca .4808 .1080 .0223 .66 |
|
FeM 0 0 0 .36 |
|
FeT .9459 .250 .9349 .44 |
|
O1 .2621 .9850 .2372 .49 |
|
O2 .0250 .1397 .0734 .89 |
|
O3 .5955 .250 .8746 .66 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.0 |
|
Note: P = 5.564 GPa |
|
_database_code_amcsd 0017762 |
|
5.3522 14.5621 5.5354 90 90 90 Pnma |
|
atom x y z Biso |
|
Ca .4802 .1080 .0218 .51 |
|
FeM 0 0 0 .19 |
|
FeT .9446 .250 .9344 .29 |
|
O1 .2627 .9827 .2371 .31 |
|
O2 .0270 .1404 .073 .62 |
|
O3 .596 .250 .873 .4 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.0 |
|
Note: P = 6.326 GPa |
|
_database_code_amcsd 0017763 |
|
5.3422 14.5385 5.5277 90 90 90 Pnma |
|
atom x y z Biso |
|
Ca .4802 .1083 .0216 .65 |
|
FeM 0 0 0 .35 |
|
FeT .9454 .250 .9351 .46 |
|
O1 .2624 .9829 .2377 .43 |
|
O2 .0273 .1409 .0773 .92 |
|
O3 .5923 .250 .8759 .62 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.0 |
|
Note: P = 8.167 GPa |
|
_database_code_amcsd 0017764 |
|
5.3246 14.4819 5.5110 90 90 90 Pnma |
|
atom x y z Biso |
|
Ca .4802 .1088 .0217 .60 |
|
FeM 0 0 0 .28 |
|
FeT .9455 .250 .9353 .42 |
|
O1 .2617 .9836 .2380 .36 |
|
O2 .0266 .1414 .0761 .72 |
|
O3 .5916 .250 .8756 .61 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.0 |
|
Note: P = 9.73 GPa |
|
_database_code_amcsd 0017765 |
|
5.3035 14.4389 5.4979 90 90 90 Pnma |
|
atom x y z Biso |
|
Ca .4804 .1089 .0219 .65 |
|
FeM 0 0 0 .37 |
|
FeT .9449 .250 .9352 .45 |
|
O1 .2622 .9825 .2376 .59 |
|
O2 .0276 .1417 .0756 .90 |
|
O3 .5945 .250 .8756 .52 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.37 |
|
Note: P = 0.0001 GPa |
|
_database_code_amcsd 0017766 |
|
5.4042 14.6835 5.5947 90 90 90 Pnma |
|
atom x y z occ Biso |
|
Ca .4840 .10830 .0248 .65 |
|
FeM 0 0 0 .93 .45 |
|
AlM 0 0 0 .07 .45 |
|
FeT .9472 .250 .9318 .70 .34 |
|
AlT .9472 .250 .9318 .30 .34 |
|
O1 .260 .9854 .2402 .70 |
|
O2 .023 .1417 .0711 .79 |
|
O3 .602 .250 .8705 .41 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.37 |
|
Note: P = 2.015 GPa |
|
_database_code_amcsd 0017767 |
|
5.3769 14.6032 5.5712 90 90 90 Pnma |
|
atom x y z occ Biso |
|
Ca .4838 .10830 .0240 .63 |
|
FeM 0 0 0 .93 .45 |
|
AlM 0 0 0 .07 .45 |
|
FeT .9468 .250 .9325 .70 .32 |
|
AlT .9468 .250 .9325 .30 .32 |
|
O1 .259 .9844 .2404 .57 |
|
O2 .024 .1419 .0735 .85 |
|
O3 .602 .250 .8691 .41 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.37 |
|
Note: P = 3.729 GPa |
|
_database_code_amcsd 0017768 |
|
5.3549 14.5410 5.5524 90 90 90 Pnma |
|
atom x y z occ Biso |
|
Ca .4920 .10822 .0239 .96 |
|
FeM 0 0 0 .93 .72 |
|
AlM 0 0 0 .07 .72 |
|
FeT .9491 .250 .9332 .70 .69 |
|
AlT .9491 .250 .9332 .30 .69 |
|
O1 .264 .9840 .2404 .91 |
|
O2 .026 .1426 .075 1.05 |
|
O3 .598 .250 .877 1.0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.37 |
|
Note: P = 6.267 GPa |
|
_database_code_amcsd 0017769 |
|
5.3246 14.4558 5.5273 90 90 90 Pnma |
|
atom x y z occ Biso |
|
Ca .4832 .10832 .0238 .64 |
|
FeM 0 0 0 .93 .47 |
|
AlM 0 0 0 .07 .47 |
|
FeT .9470 .250 .9334 .70 .36 |
|
AlT .9470 .250 .9334 .30 .36 |
|
O1 .264 .9837 .2384 .63 |
|
O2 .0274 .1417 .0729 .64 |
|
O3 .606 .250 .871 .55 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Brownmillerite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.37 |
|
Note: P = 8.89 GPa |
|
_database_code_amcsd 0017770 |
|
5.2953 14.3759 5.5037 90 90 90 Pnma |
|
atom x y z occ Biso |
|
Ca .4824 .10837 .0233 .54 |
|
FeM 0 0 0 .93 .37 |
|
AlM 0 0 0 .07 .37 |
|
FeT .9459 .250 .9338 .70 .30 |
|
AlT .9459 .250 .9338 .30 .30 |
|
O1 .259 .9826 .2394 .51 |
|
O2 .026 .1420 .0763 .73 |
|
O3 .608 .250 .870 .5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Brownmillerite |
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Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
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Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
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high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
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Locality: synthetic |
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Note: x = 0.55 |
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Note: P = 0.0001 GPa |
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_database_code_amcsd 0017771 |
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5.383 14.610 5.5920 90 90 90 I2mb |
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atom x y z occ Biso |
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Ca .491 .10833 .0266 .71 |
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FeM 0 0 0 .87 .54 |
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AlM 0 0 0 .13 .54 |
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FeT .955 .250 .9295 .58 .57 |
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AlT .955 .250 .9295 .42 .57 |
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O1 .246 .9861 .256 .58 |
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O2 .024 .1424 .0699 .67 |
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O3 .612 .250 .863 .7 |
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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
|
| |
|
Brownmillerite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.55 |
|
Note: P = 1.49 GPa |
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_database_code_amcsd 0017772 |
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5.361 14.5523 5.5958 90 90 90 I2mb |
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atom x y z occ Biso |
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Ca .491 .10830 .0261 .69 |
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FeM 0 0 0 .87 .57 |
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AlM 0 0 0 .13 .57 |
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FeT .953 .250 .9300 .58 .56 |
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AlT .953 .250 .9300 .42 .56 |
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O1 .244 .9862 .256 .72 |
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O2 .026 .1429 .0699 .71 |
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O3 .613 .250 .869 .7 |
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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
|
| |
|
Brownmillerite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.55 |
|
Note: P = 3.21 GPa |
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_database_code_amcsd 0017773 |
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5.3394 14.4853 5.5584 90 90 90 I2mb |
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atom x y z occ Biso |
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Ca .489 .10824 .0264 .62 |
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FeM 0 0 0 .87 .52 |
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AlM 0 0 0 .13 .52 |
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FeT .952 .250 .9302 .58 .49 |
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AlT .952 .250 .9302 .42 .49 |
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O1 .243 .9853 .259 .66 |
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O2 .028 .1420 .0708 .80 |
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O3 .6178 .250 .871 .6 |
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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
|
| |
|
Brownmillerite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.55 |
|
Note: P = 4.511 GPa |
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_database_code_amcsd 0017774 |
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5.324 14.4380 5.5450 90 90 90 I2mb |
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atom x y z occ Biso |
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Ca .488 .10849 .0260 .54 |
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FeM 0 0 0 .87 .46 |
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AlM 0 0 0 .13 .46 |
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FeT .952 .250 .93078 .58 .49 |
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AlT .952 .250 .93078 .42 .49 |
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O1 .237 .9842 .260 .54 |
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O2 .025 .1429 .0718 .78 |
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O3 .611 .250 .868 .2 |
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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
|
| |
|
Brownmillerite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.55 |
|
Note: P = 6.27 GPa |
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_database_code_amcsd 0017775 |
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5.303 14.3778 5.5290 90 90 90 I2mb |
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atom x y z occ Biso |
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Ca .492 .1085 .0256 .72 |
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FeM 0 0 0 .87 .60 |
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AlM 0 0 0 .13 .60 |
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FeT .952 .250 .9309 .58 .58 |
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AlT .952 .250 .9309 .42 .58 |
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O1 .247 .9848 .258 .7 |
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O2 .025 .1430 .072 .9 |
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O3 .609 .250 .869 .8 |
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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
|
| |
|
Brownmillerite |
|
Vanpeteghem C B, Angel R J, Zhao J, Ross N L, Redhammer G J, Seifert F |
| |
Physics and Chemistry of Minerals 35 (2008) 493-504 |
|
The effect of oxygen vacancies and aluminium substitution on the |
|
high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 |
|
Locality: synthetic |
|
Note: x = 0.55 |
|
Note: P = 7.73 GPa |
|
_database_code_amcsd 0017776 |
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5.2866 14.3321 5.5163 90 90 90 I2mb |
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atom x y z occ Biso |
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Ca .495 .10827 .0258 .71 |
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FeM 0 0 0 .87 .56 |
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AlM 0 0 0 .13 .56 |
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FeT .958 .250 .9312 .58 .58 |
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AlT .958 .250 .9312 .42 .58 |
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O1 .258 .9844 .253 .67 |
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O2 .037 .1425 .072 .8 |
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O3 .613 .250 .871 .6 |
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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
|
| |
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