|
Franklinite |
 |
Pavese A, Levy D, Hoser A |
 |
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 300 K |
|
_database_code_amcsd 0002576 |
|
8.4418 8.4418 8.4418 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .0083 |
|
Fe .125 .125 .125 .0240 .0039 |
|
Zn .125 .125 .125 .9760 .0039 |
|
O .2603 .2603 .2603 .0080 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 500 K |
|
_database_code_amcsd 0002577 |
|
8.4560 8.4560 8.4560 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .0112 |
|
Fe .125 .125 .125 .0262 .0078 |
|
Zn .125 .125 .125 .9738 .0078 |
|
O .2602 .2602 .2602 .0118 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 700 K |
|
_database_code_amcsd 0002578 |
|
8.4713 8.4713 8.4713 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .0141 |
|
Fe .125 .125 .125 .0221 .0115 |
|
Zn .125 .125 .125 .9779 .0115 |
|
O .2601 .2601 .2601 .0147 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 800 K |
|
_database_code_amcsd 0002579 |
|
8.4785 8.4785 8.4785 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .9891 .0152 |
|
Zn .5 .5 .5 .0109 .0152 |
|
Fe .125 .125 .125 .0419 .0135 |
|
Zn .125 .125 .125 .9581 .0135 |
|
O .2599 .2599 .2599 .0169 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 850 K |
|
_database_code_amcsd 0002580 |
|
8.4827 8.4827 8.4827 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .9826 .0162 |
|
Zn .5 .5 .5 .0174 .0162 |
|
Fe .125 .125 .125 .0548 .0139 |
|
Zn .125 .125 .125 .9452 .0139 |
|
O .2597 .2597 .2597 .0177 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 900 K |
|
_database_code_amcsd 0002581 |
|
8.4870 8.4870 8.4870 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .9746 .0152 |
|
Zn .5 .5 .5 .0254 .0152 |
|
Fe .125 .125 .125 .0709 .0157 |
|
Zn .125 .125 .125 .9291 .0157 |
|
O .2596 .2596 .2596 .0213 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 950 K |
|
_database_code_amcsd 0002582 |
|
8.4914 8.4914 8.4914 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .9711 .0159 |
|
Zn .5 .5 .5 .0289 .0159 |
|
Fe .125 .125 .125 .0778 .0170 |
|
Zn .125 .125 .125 .9222 .0170 |
|
O .2594 .2594 .2594 .0226 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 1000 K |
|
_database_code_amcsd 0002583 |
|
8.4956 8.4956 8.4956 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .9632 .0192 |
|
Zn .5 .5 .5 .0368 .0192 |
|
Fe .125 .125 .125 .0936 .0172 |
|
Zn .125 .125 .125 .9064 .0172 |
|
O .2595 .2595 .2595 .0208 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 1100 K |
|
_database_code_amcsd 0002584 |
|
8.5038 8.5038 8.5038 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .9430 .0215 |
|
Zn .5 .5 .5 .0560 .0215 |
|
Fe .125 .125 .125 .1341 .0184 |
|
Zn .125 .125 .125 .8659 .0184 |
|
O .2592 .2592 .2592 .0227 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 1200 K |
|
_database_code_amcsd 0002585 |
|
8.5130 8.5130 8.5130 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .9128 .0229 |
|
Zn .5 .5 .5 .0872 .0229 |
|
Fe .125 .125 .125 .1975 .0213 |
|
Zn .125 .125 .125 .8025 .0213 |
|
O .2589 .2589 .2589 .0259 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 1300 K |
|
_database_code_amcsd 0002586 |
|
8.5220 8.5220 8.5220 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .8992 .0250 |
|
Zn .5 .5 .5 .1007 .0250 |
|
Fe .125 .125 .125 .2216 .0204 |
|
Zn .125 .125 .125 .7784 .0204 |
|
O .2586 .2586 .2586 .0289 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 1400 K |
|
_database_code_amcsd 0002587 |
|
8.5318 8.5318 8.5318 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .8600 .0272 |
|
Zn .5 .5 .5 .1400 .0272 |
|
Fe .125 .125 .125 .3007 .0211 |
|
Zn .125 .125 .125 .6993 .0211 |
|
O .2585 .2585 .2585 .0329 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Franklinite |
|
Pavese A, Levy D, Hoser A |
|
American Mineralogist 85 (2000) 1497-1502 |
|
Cation distribution in synthetic zinc ferrite (Zn0.97Fe2.02O4) from |
|
in situ high temperature neutron powder diffraction |
|
Sample at T = 1500 K |
|
_database_code_amcsd 0002588 |
|
8.5450 8.5450 8.5450 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
Fe .5 .5 .5 .8423 .0322 |
|
Zn .5 .5 .5 .1577 .0322 |
|
Fe .125 .125 .125 .3403 .0283 |
|
Zn .125 .125 .125 .6597 .0283 |
|
O .2577 .2577 .2577 .0357 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Diopside |
|
Prencipe M, Tribaudino M, Pavese A, Hoser A, Reehuis M |
|
The Canadian Mineralogist 38 (2000) 183-189 |
|
A single-crystal neutron-diffraction investigation of diopside at 10 K |
|
_database_code_amcsd 0005645 |
|
9.735 8.898 5.242 90 105.72 90 C2/c |
|
atom x y z Biso |
|
Ca2 0 .3020 .25 .26 |
|
Mg1 0 .9085 .25 .11 |
|
Si .2865 .0936 .2293 .08 |
|
O1 .1155 .0880 .1425 .13 |
|
O2 .3612 .2504 .3193 .18 |
|
O3 .3510 .0180 .9946 .18 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Manganolangbeinite |
|
Oelkrug H, Bruckel T, Hohlwein D, Hoser A, Prandl W |
| |
Physics and Chemistry of Minerals 16 (1988) 246-249 |
|
The magnetic structure of the langbeinite K2Mn2(SO4)3 |
|
Locality: synthetic |
|
_database_code_amcsd 0007449 |
|
10.1073 10.1073 10.1073 90 90 90 P2_13 |
|
atom x y z Biso |
|
K1 .8065 .8065 .8065 2.9 |
|
K2 .0515 .0515 .0515 4.6 |
|
Mn1 .3299 .3299 .3299 -2.3 |
|
Mn2 .5983 .5983 .5983 3.5 |
|
S .2198 .3799 .0136 2.5 |
|
O1 .3010 .2694 .9575 3.6 |
|
O2 .0838 .3350 .0061 3.4 |
|
O3 .2308 .4909 .9280 3.1 |
|
O4 .2609 .4147 .1473 2.4 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Manganolangbeinite |
|
Oelkrug H, Bruckel T, Hohlwein D, Hoser A, Prandl W |
| |
Physics and Chemistry of Minerals 16 (1988) 246-249 |
|
The magnetic structure of the langbeinite K2Mn2(SO4)3 |
|
Sample at T = 4.2 K |
|
Note, there is something wrong with this dataset. |
|
Locality: synthetic |
|
_database_code_amcsd 0007450 |
|
10.0443 10.0735 10.0036 90 90 90 P2_12_12_1 |
|
atom x y z Biso |
|
K1 .1711 .3237 .6799 .45 |
|
K2 .0218 .0519 .0483 .45 |
|
Mn1 .2746 .3558 .3461 .45 |
|
Mn2 .3856 .0809 .9307 .45 |
|
S1 .2709 .3349 .0414 .45 |
|
S2 .3914 .0233 .2114 .45 |
|
S3 .9702 .2171 .3677 .45 |
|
O1 .3130 .2578 .0125 .45 |
|
O2 .0782 .3312 .9885 .45 |
|
O3 .2697 .4712 .9387 .45 |
|
O4 .2196 .4275 .1610 .45 |
|
O5 .2995 .9243 .3252 .45 |
|
O6 .8195 .9899 .1072 .45 |
|
O7 .5158 .9573 .2445 .45 |
|
O8 .3778 .1527 .2928 .45 |
|
O9 .9577 .2748 .2598 .45 |
|
O10 .0582 .0768 .3398 .45 |
|
O11 .9152 .1799 .4823 .45 |
|
O12 .1250 .2827 .4345 .45 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 300 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008209 |
|
8.0670 8.0670 8.0670 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0115 |
|
MgT 1/8 1/8 1/8 .5881 .0115 |
|
AlT 1/8 1/8 1/8 .0819 .0115 |
|
MgM 1/2 1/2 1/2 .0558 .0081 |
|
AlM 1/2 1/2 1/2 .9445 .0081 |
|
O .2598 .2598 .2598 .0130 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 523 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008210 |
|
8.0811 8.0811 8.0811 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0149 |
|
MgT 1/8 1/8 1/8 .5857 .0149 |
|
AlT 1/8 1/8 1/8 .0843 .0149 |
|
MgM 1/2 1/2 1/2 .0570 .0116 |
|
AlM 1/2 1/2 1/2 .9433 .0116 |
|
O .2598 .2598 .2598 .0157 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 773 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008211 |
|
8.0973 8.0973 8.0973 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0185 |
|
MgT 1/8 1/8 1/8 .5845 .0185 |
|
AlT 1/8 1/8 1/8 .0855 .0185 |
|
MgM 1/2 1/2 1/2 .0575 .0147 |
|
AlM 1/2 1/2 1/2 .9427 .0147 |
|
O .2597 .2597 .2597 .0188 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 973 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008212 |
|
8.1115 8.1115 8.1115 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0209 |
|
MgT 1/8 1/8 1/8 .1483 .0209 |
|
AlT 1/8 1/8 1/8 .6217 .0209 |
|
MgM 1/2 1/2 1/2 .2763 .0175 |
|
AlM 1/2 1/2 1/2 .6737 .0175 |
|
O .2595 .2595 .2595 .0213 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 1123 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008213 |
|
8.1256 8.1256 8.1256 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0239 |
|
MgT 1/8 1/8 1/8 .1481 .0239 |
|
AlT 1/8 1/8 1/8 .6219 .0239 |
|
MgM 1/2 1/2 1/2 .2764 .0188 |
|
AlM 1/2 1/2 1/2 .6737 .0188 |
|
O .2595 .2595 .2595 .0239 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 1273 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008214 |
|
8.1437 8.1437 8.1437 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0252 |
|
MgT 1/8 1/8 1/8 .1499 .0252 |
|
AlT 1/8 1/8 1/8 .6201 .0252 |
|
MgM 1/2 1/2 1/2 .2756 .0206 |
|
AlM 1/2 1/2 1/2 .6744 .0206 |
|
O .2597 .2597 .2597 .0262 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 1423 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008215 |
|
8.1612 8.1612 8.1612 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0284 |
|
MgT 1/8 1/8 1/8 .1528 .0284 |
|
AlT 1/8 1/8 1/8 .6172 .0284 |
|
MgM 1/2 1/2 1/2 .2742 .0220 |
|
AlM 1/2 1/2 1/2 .6757 .0220 |
|
O .2598 .2598 .2598 .0291 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Spinel |
|
Pavese A, Artioli G, Russo U, Hoser A |
| |
Physics and Chemistry of Minerals 26 (1999) 242-250 |
|
Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
|
synthetic spinel by in situ neutron powder diffraction |
|
Sample: T = 1573 K |
|
Locality: synthetic |
|
_database_code_amcsd 0008216 |
|
8.1768 8.1768 8.1768 90 90 90 *Fd3m |
|
.125 .125 .125 |
|
atom x y z occ Uiso |
|
FeT 1/8 1/8 1/8 .23 .0313 |
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MgT 1/8 1/8 1/8 .1524 .0313 |
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AlT 1/8 1/8 1/8 .6176 .0313 |
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MgM 1/2 1/2 1/2 .2745 .0230 |
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AlM 1/2 1/2 1/2 .6755 .0230 |
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O .2599 .2599 .2599 .0326 |
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View JMOL 3-D Structure
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Spinel |
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Pavese A, Artioli G, Russo U, Hoser A |
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Physics and Chemistry of Minerals 26 (1999) 242-250 |
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Cation partitioning versus temperature in (Mg0.70Fe0.23)Al1.97O4 |
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synthetic spinel by in situ neutron powder diffraction |
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Sample: T = 1723 K |
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Locality: synthetic |
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_database_code_amcsd 0008217 |
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8.1907 8.1907 8.1907 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Uiso |
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FeT 1/8 1/8 1/8 .23 .0341 |
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MgT 1/8 1/8 1/8 .1530 .0341 |
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AlT 1/8 1/8 1/8 .6170 .0341 |
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MgM 1/2 1/2 1/2 .2742 .0240 |
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AlM 1/2 1/2 1/2 .6758 .0240 |
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O .2602 .2602 .2602 .0353 |
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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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