|
Spinel |
 |
Finger L W, Hazen R M, Hofmeister A M |
| |
Physics and Chemistry of Minerals 13 (1986) 215-220 |
|
High-pressure crystal chemistry of spinel (MgAl2O4) |
|
and magnetite (Fe3O4): comparisons with silicate spinels |
|
Sample: P = 0.001 kbar |
|
_database_code_amcsd 0007389 |
|
8.0898 8.0898 8.0898 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
MgA .125 .125 .125 .90 .0033 .0033 .0033 0 0 0 |
|
AlB .5 .5 .5 .87 .0035 .0035 .0035 -.0001 -.0001 -.0001 |
|
O .2633 .2633 .2633 1.07 .0041 .0041 .0041 -.0001 -.0001 -.0001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Finger L W, Hazen R M, Hofmeister A M |
| |
Physics and Chemistry of Minerals 13 (1986) 215-220 |
|
High-pressure crystal chemistry of spinel (MgAl2O4) |
|
and magnetite (Fe3O4): comparisons with silicate spinels |
|
Sample: P = 10 kbar |
|
_database_code_amcsd 0007390 |
|
8.0776 8.0776 8.0776 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
MgA .125 .125 .125 .61 .0023 .0023 .0023 0 0 0 |
|
AlB .5 .5 .5 .61 .0023 .0023 .0023 -.0001 -.0001 -.0001 |
|
O .2633 .2633 .2633 .87 .0033 .0033 .0033 -.0000 -.0000 -.0000 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Finger L W, Hazen R M, Hofmeister A M |
| |
Physics and Chemistry of Minerals 13 (1986) 215-220 |
|
High-pressure crystal chemistry of spinel (MgAl2O4) |
|
and magnetite (Fe3O4): comparisons with silicate spinels |
|
Sample: P = 20 kbar |
|
_database_code_amcsd 0007391 |
|
8.0638 8.0638 8.0638 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
MgA .125 .125 .125 .93 .0037 .0037 .0037 0 0 0 |
|
AlB .5 .5 .5 .87 .0035 .0035 .0035 .0003 .0003 .0003 |
|
O .2627 .2627 .2627 1.10 .0042 .0042 .0042 -.0002 -.0002 -.0002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Finger L W, Hazen R M, Hofmeister A M |
| |
Physics and Chemistry of Minerals 13 (1986) 215-220 |
|
High-pressure crystal chemistry of spinel (MgAl2O4) |
|
and magnetite (Fe3O4): comparisons with silicate spinels |
|
Sample: P = 30 kbar |
|
_database_code_amcsd 0007392 |
|
8.0515 8.0515 8.0515 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
MgA .125 .125 .125 .65 .0025 .0025 .0025 0 0 0 |
|
AlB .5 .5 .5 .72 .0028 .0028 .0028 -.0002 -.0002 -.0002 |
|
O .2632 .2632 .2632 .85 .0033 .0033 .0033 .0000 .0000 .0000 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Finger L W, Hazen R M, Hofmeister A M |
| |
Physics and Chemistry of Minerals 13 (1986) 215-220 |
|
High-pressure crystal chemistry of spinel (MgAl2O4) |
|
and magnetite (Fe3O4): comparisons with silicate spinels |
|
Sample: P = 40 kbar |
|
_database_code_amcsd 0007393 |
|
8.034 8.034 8.034 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
MgA .125 .125 .125 .88 .0034 .0034 .0034 0 0 0 |
|
AlB .5 .5 .5 .81 .0031 .0031 .0031 .0001 .0001 .0001 |
|
O .2627 .2627 .2627 1.00 .0039 .0039 .0039 -.0006 -.0006 -.0006 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnetite |
|
Finger L W, Hazen R M, Hofmeister A M |
| |
Physics and Chemistry of Minerals 13 (1986) 215-220 |
|
High-pressure crystal chemistry of spinel (MgAl2O4) |
|
and magnetite (Fe3O4): comparisons with silicate spinels |
|
Sample: P = 0.001 kbar |
|
_database_code_amcsd 0007394 |
|
8.3778 8.3778 8.3778 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
FeA .125 .125 .125 .60 .0022 .0022 .0022 0 0 0 |
|
FeB .5 .5 .5 .70 .0025 .0025 .0025 .0001 .0001 .0001 |
|
O .2550 .2550 .2550 .73 .0026 .0026 .0026 .0001 .0001 .0001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnetite |
|
Finger L W, Hazen R M, Hofmeister A M |
| |
Physics and Chemistry of Minerals 13 (1986) 215-220 |
|
High-pressure crystal chemistry of spinel (MgAl2O4) |
|
and magnetite (Fe3O4): comparisons with silicate spinels |
|
Sample: P = 13 kbar |
|
_database_code_amcsd 0007395 |
|
8.3578 8.3578 8.3578 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
FeA .125 .125 .125 .61 .0023 .0023 .0023 0 0 0 |
|
FeB .5 .5 .5 .69 .0025 .0025 .0025 .0001 .0001 .0001 |
|
O .2549 .2549 .2549 .78 .0028 .0028 .0028 .0002 .0002 .0002 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnetite |
|
Finger L W, Hazen R M, Hofmeister A M |
| |
Physics and Chemistry of Minerals 13 (1986) 215-220 |
|
High-pressure crystal chemistry of spinel (MgAl2O4) |
|
and magnetite (Fe3O4): comparisons with silicate spinels |
|
Sample: P = 26 kbar |
|
_database_code_amcsd 0007396 |
|
8.339 8.339 8.339 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
FeA .125 .125 .125 .51 .0018 .0018 .0018 0 0 0 |
|
FeB .5 .5 .5 .61 .0022 .0022 .0022 .0002 .0002 .0002 |
|
O .2547 .2547 .2547 .69 .0025 .0025 .0025 .0001 .0001 .0001 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnetite |
|
Finger L W, Hazen R M, Hofmeister A M |
| |
Physics and Chemistry of Minerals 13 (1986) 215-220 |
|
High-pressure crystal chemistry of spinel (MgAl2O4) |
|
and magnetite (Fe3O4): comparisons with silicate spinels |
|
Sample: P = 39 kbar |
|
_database_code_amcsd 0007397 |
|
8.3199 8.3199 8.3199 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
FeA .125 .125 .125 .57 .0021 .0021 .0021 0 0 0 |
|
FeB .5 .5 .5 .64 .0023 .0023 .0023 .0002 .0002 .0002 |
|
O .2549 .2549 .2549 .70 .0025 .0025 .0025 -.0004 -.0004 -.0004 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Magnetite |
|
Finger L W, Hazen R M, Hofmeister A M |
| |
Physics and Chemistry of Minerals 13 (1986) 215-220 |
|
High-pressure crystal chemistry of spinel (MgAl2O4) |
|
and magnetite (Fe3O4): comparisons with silicate spinels |
|
Sample: P = 45 kbar |
|
_database_code_amcsd 0007398 |
|
8.3153 8.3153 8.3153 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
|
FeA .125 .125 .125 .50 .0018 .0018 .0018 0 0 0 |
|
FeB .5 .5 .5 .58 .0021 .0021 .0021 -.0001 -.0001 -.0001 |
|
O .2551 .2551 .2551 .62 .0022 .0022 .0022 .0008 .0008 .0008 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
KCuF3 |
| |
Burns P C, Hawthorne F C, Hofmeister A M, Moret S L |
| |
Physics and Chemistry of Minerals 23 (1996) 141-150 |
|
A structural phase-transition in K(Mg1-xCux)F3 perovskite |
|
Sample: x = 1.000 |
|
_database_code_amcsd 0007931 |
|
5.8604 5.8604 7.8528 90 90 90 I4/mcm |
|
atom x y z |
|
K 0 0 .25 |
|
Cu 0 .5 0 |
|
F1 0 .5 .25 |
|
F2 .2230 .7230 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
KMg.05Cu.95F3 |
| |
Burns P C, Hawthorne F C, Hofmeister A M, Moret S L |
| |
Physics and Chemistry of Minerals 23 (1996) 141-150 |
|
A structural phase-transition in K(Mg1-xCux)F3 perovskite |
|
Sample: x = 0.950 |
|
_database_code_amcsd 0007932 |
|
5.8564 5.8564 7.8555 90 90 90 I4/mcm |
|
atom x y z occ |
|
K 0 0 .25 |
|
Cu 0 .5 0 .950 |
|
Mg 0 .5 0 .050 |
|
F1 0 .5 .25 |
|
F2 .2253 .7253 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
KMg.10Cu.90F3 |
| |
Burns P C, Hawthorne F C, Hofmeister A M, Moret S L |
| |
Physics and Chemistry of Minerals 23 (1996) 141-150 |
|
A structural phase-transition in K(Mg1-xCux)F3 perovskite |
|
Sample: x = 0.900 |
|
_database_code_amcsd 0007933 |
|
5.8488 5.8488 7.8585 90 90 90 I4/mcm |
|
atom x y z occ |
|
K 0 0 .25 |
|
Cu 0 .5 0 .900 |
|
Mg 0 .5 0 .100 |
|
F1 0 .5 .25 |
|
F2 .2249 .7249 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
KMg.15Cu.85F3 |
| |
Burns P C, Hawthorne F C, Hofmeister A M, Moret S L |
| |
Physics and Chemistry of Minerals 23 (1996) 141-150 |
|
A structural phase-transition in K(Mg1-xCux)F3 perovskite |
|
Sample: x = 0.850 |
|
_database_code_amcsd 0007934 |
|
5.8423 5.8423 7.8647 90 90 90 I4/mcm |
|
atom x y z occ |
|
K 0 0 .25 |
|
Cu 0 .5 0 .850 |
|
Mg 0 .5 0 .150 |
|
F1 0 .5 .25 |
|
F2 .2254 .7254 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
KMg.20Cu.80F3 |
| |
Burns P C, Hawthorne F C, Hofmeister A M, Moret S L |
| |
Physics and Chemistry of Minerals 23 (1996) 141-150 |
|
A structural phase-transition in K(Mg1-xCux)F3 perovskite |
|
Sample: x = 0.800 |
|
_database_code_amcsd 0007935 |
|
5.8311 5.8311 7.8746 90 90 90 I4/mcm |
|
atom x y z occ |
|
K 0 0 .25 |
|
Cu 0 .5 0 .800 |
|
Mg 0 .5 0 .200 |
|
F1 0 .5 .25 |
|
F2 .2276 .7276 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
KMg.25Cu.75F3 |
| |
Burns P C, Hawthorne F C, Hofmeister A M, Moret S L |
| |
Physics and Chemistry of Minerals 23 (1996) 141-150 |
|
A structural phase-transition in K(Mg1-xCux)F3 perovskite |
|
Sample: x = 0.750 |
|
_database_code_amcsd 0007936 |
|
5.8149 5.8149 7.8863 90 90 90 I4/mcm |
|
atom x y z occ |
|
K 0 0 .25 |
|
Cu 0 .5 0 .750 |
|
Mg 0 .5 0 .250 |
|
F1 0 .5 .25 |
|
F2 .2313 .7313 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
KMg.30Cu.70F3 |
| |
Burns P C, Hawthorne F C, Hofmeister A M, Moret S L |
| |
Physics and Chemistry of Minerals 23 (1996) 141-150 |
|
A structural phase-transition in K(Mg1-xCux)F3 perovskite |
|
Sample: x = 0.700 |
|
_database_code_amcsd 0007937 |
|
5.8018 5.8018 7.9006 90 90 90 I4/mcm |
|
atom x y z occ |
|
K 0 0 .25 |
|
Cu 0 .5 0 .700 |
|
Mg 0 .5 0 .300 |
|
F1 0 .5 .25 |
|
F2 .2368 .7368 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
KMg.35Cu.65F3 |
| |
Burns P C, Hawthorne F C, Hofmeister A M, Moret S L |
| |
Physics and Chemistry of Minerals 23 (1996) 141-150 |
|
A structural phase-transition in K(Mg1-xCux)F3 perovskite |
|
Sample: x = 0.650 |
|
_database_code_amcsd 0007938 |
|
5.7746 5.7746 7.9245 90 90 90 I4/mcm |
|
atom x y z occ |
|
K 0 0 .25 |
|
Cu 0 .5 0 .650 |
|
Mg 0 .5 0 .350 |
|
F1 0 .5 .25 |
|
F2 .2400 .7400 0 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
KMg.425Cu.575F3 |
| |
Burns P C, Hawthorne F C, Hofmeister A M, Moret S L |
| |
Physics and Chemistry of Minerals 23 (1996) 141-150 |
|
A structural phase-transition in K(Mg1-xCux)F3 perovskite |
|
Sample: x = 0.575 |
|
_database_code_amcsd 0007939 |
|
4.0226 4.0226 4.0226 90 90 90 Pm3m |
|
atom x y z occ |
|
K .5 .5 .5 |
|
Cu 0 0 0 .575 |
|
Mg 0 0 0 .425 |
|
F .5 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
|
| |
|
KMg.5Cu.5F3 |
| |
Burns P C, Hawthorne F C, Hofmeister A M, Moret S L |
| |
Physics and Chemistry of Minerals 23 (1996) 141-150 |
|
A structural phase-transition in K(Mg1-xCux)F3 perovskite |
|
Sample: x = 0.500 |
|
_database_code_amcsd 0007940 |
|
4.0112 4.0112 4.0112 90 90 90 Pm3m |
|
atom x y z occ |
|
K .5 .5 .5 |
|
Cu 0 0 0 .500 |
|
Mg 0 0 0 .500 |
|
F .5 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
|
| |
|
KMg.6Cu.4F3 |
| |
Burns P C, Hawthorne F C, Hofmeister A M, Moret S L |
| |
Physics and Chemistry of Minerals 23 (1996) 141-150 |
|
A structural phase-transition in K(Mg1-xCux)F3 perovskite |
|
Sample: x = 0.400 |
|
_database_code_amcsd 0007941 |
|
4.0068 4.0068 4.0068 90 90 90 Pm3m |
|
atom x y z occ |
|
K .5 .5 .5 |
|
Cu 0 0 0 .400 |
|
Mg 0 0 0 .600 |
|
F .5 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
|
| |
|
KMg.7Cu.3F3 |
| |
Burns P C, Hawthorne F C, Hofmeister A M, Moret S L |
| |
Physics and Chemistry of Minerals 23 (1996) 141-150 |
|
A structural phase-transition in K(Mg1-xCux)F3 perovskite |
|
Sample: x = 0.300 |
|
_database_code_amcsd 0007942 |
|
3.9987 3.9987 3.9987 90 90 90 Pm3m |
|
atom x y z occ |
|
K .5 .5 .5 |
|
Cu 0 0 0 .300 |
|
Mg 0 0 0 .700 |
|
F .5 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
|
| |
|
KMg.8Cu.2F3 |
| |
Burns P C, Hawthorne F C, Hofmeister A M, Moret S L |
| |
Physics and Chemistry of Minerals 23 (1996) 141-150 |
|
A structural phase-transition in K(Mg1-xCux)F3 perovskite |
|
Sample: x = 0.200 |
|
_database_code_amcsd 0007943 |
|
3.9978 3.9978 3.9978 90 90 90 Pm3m |
|
atom x y z occ |
|
K .5 .5 .5 |
|
Cu 0 0 0 .200 |
|
Mg 0 0 0 .800 |
|
F .5 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
|
| |
|
KMg.9Cu.1F3 |
| |
Burns P C, Hawthorne F C, Hofmeister A M, Moret S L |
| |
Physics and Chemistry of Minerals 23 (1996) 141-150 |
|
A structural phase-transition in K(Mg1-xCux)F3 perovskite |
|
Sample: x = 0.100 |
|
_database_code_amcsd 0007944 |
|
3.9894 3.9894 3.9894 90 90 90 Pm3m |
|
atom x y z occ |
|
K .5 .5 .5 |
|
Cu 0 0 0 .100 |
|
Mg 0 0 0 .900 |
|
F .5 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
|
| |
|
KMgF3 |
| |
Burns P C, Hawthorne F C, Hofmeister A M, Moret S L |
| |
Physics and Chemistry of Minerals 23 (1996) 141-150 |
|
A structural phase-transition in K(Mg1-xCux)F3 perovskite |
|
Sample: x = 0.000 |
|
_database_code_amcsd 0007945 |
|
3.9859 3.9859 3.9859 90 90 90 Pm3m |
|
atom x y z |
|
K .5 .5 .5 |
|
Mg 0 0 0 |
|
F .5 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
|
| |
Multiple datasets can be concatenated into a single downloadable file by
selecting the datasets and then hitting the "Download Selected Data" button.
