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Neighborite |
 |
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
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Sample studied by X-ray diffraction |
|
_database_code_amcsd 0008540 |
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5.3607 5.4873 7.6662 90 90 90 Pbnm |
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atom x y z Biso |
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Na .9895 .0441 1/4 1.89 |
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Mg 0 1/2 0 .89 |
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F1 .0897 .4722 1/4 1.17 |
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F2 .7028 .2964 .0476 1.20 |
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| Download AMC data (View Text File)
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Neighborite |
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Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
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The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
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Sample studied by neutron diffraction |
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_database_code_amcsd 0008541 |
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5.365 5.492 7.674 90 90 90 Pbnm |
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atom x y z Biso |
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Na .9896 .0452 1/4 1.6 |
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Mg 0 1/2 0 .42 |
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F1 .0872 .4741 1/4 .80 |
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F2 .7030 .2953 .0464 .92 |
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| Download AMC data (View Text File)
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| |
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Neighborite |
|
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
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The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
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Sample studied by X-ray diffraction, x = .18 |
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_database_code_amcsd 0008542 |
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5.4486 5.5101 7.7623 90 90 90 Pbnm |
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atom x y z occ Biso |
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Na .9911 .0244 1/4 .82 2.09 |
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K .9911 .0244 1/4 .18 2.09 |
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Mg 0 1/2 0 .94 |
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F1 .0778 .4831 1/4 1.4 |
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F2 .7084 .2876 .0290 1.62 |
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| Download AMC data (View Text File)
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| |
|
Neighborite |
|
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
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Sample studied by neutron diffraction, x = .5 |
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One of two alternative models |
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_database_code_amcsd 0008543 |
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5.566 5.566 3.953 90 90 90 P4/mbm |
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atom x y z occ Biso |
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Na 0 1/2 1/2 .5 1.1 |
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K 0 1/2 1/2 .5 1.1 |
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Mg 0 0 0 -.5 |
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F1 0 0 1/2 1.97 |
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F2 .2596 .7596 0 1.96 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Neighborite |
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Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
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Sample studied by neutron diffraction, x = .5 |
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One of two alternative models |
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_database_code_amcsd 0008544 |
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3.9354 3.9354 3.9354 90 90 90 Pm3m |
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atom x y z occ Biso |
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Na 1/2 1/2 1/2 .5 1.0 |
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K 1/2 1/2 1/2 .5 1.0 |
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Mg 0 0 0 -.6 |
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F 1/2 0 0 2.05 |
|
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Na.44K.56MgF3 |
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Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
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The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
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Sample x = .56 |
|
_database_code_amcsd 0008545 |
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3.9494 3.9492 3.9492 90 90 90 Pm3m |
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atom x y z occ |
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Na 1/2 1/2 1/2 .44 |
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K 1/2 1/2 1/2 .56 |
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Mg 0 0 0 |
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F 1/2 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Na.4K.6MgF3 |
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Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
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The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
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Sample x = .60 |
|
_database_code_amcsd 0008546 |
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3.9545 3.9545 3.9545 90 90 90 Pm3m |
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atom x y z occ |
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Na 1/2 1/2 1/2 .40 |
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K 1/2 1/2 1/2 .60 |
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Mg 0 0 0 |
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F 1/2 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Na.33K.67MgF3 |
| |
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
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The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
|
Sample x = .67 |
|
_database_code_amcsd 0008547 |
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3.9622 3.9622 3.9622 90 90 90 Pm3m |
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atom x y z occ |
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Na 1/2 1/2 1/2 .33 |
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K 1/2 1/2 1/2 .67 |
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Mg 0 0 0 |
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F 1/2 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Na.3K.7MgF3 |
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Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
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Physics and Chemistry of Minerals 28 (2001) 277-284 |
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The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
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Sample x = .70 |
|
_database_code_amcsd 0008548 |
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3.9659 3.9659 3.9659 90 90 90 Pm3m |
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atom x y z occ |
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Na 1/2 1/2 1/2 .30 |
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K 1/2 1/2 1/2 .70 |
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Mg 0 0 0 |
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F 1/2 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Na.22K.78MgF3 |
| |
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
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Sample x = .78 |
|
_database_code_amcsd 0008549 |
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3.9742 3.9742 3.9742 90 90 90 Pm3m |
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atom x y z occ |
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Na 1/2 1/2 1/2 .22 |
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K 1/2 1/2 1/2 .78 |
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Mg 0 0 0 |
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F 1/2 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Na.11K.89MgF3 |
| |
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
|
The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
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Sample x = .89 |
|
_database_code_amcsd 0008550 |
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3.9824 3.9824 3.9824 90 90 90 Pm3m |
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atom x y z occ |
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Na 1/2 1/2 1/2 .11 |
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K 1/2 1/2 1/2 .89 |
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Mg 0 0 0 |
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F 1/2 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
KMgF3 |
| |
Chakhmouradian A R, Ross K, Mitchell R H, Swainson I |
| |
Physics and Chemistry of Minerals 28 (2001) 277-284 |
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The crystal chemistry of synthetic potassium-bearing neighborite, (Na1-xKx)MgF3 |
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Sample x = 1.00 |
|
_database_code_amcsd 0008551 |
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3.9897 3.9897 3.9897 90 90 90 Pm3m |
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atom x y z |
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K 1/2 1/2 1/2 |
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Mg 0 0 0 |
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F 1/2 0 0 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Simmonsite |
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Ross K C, Mitchell R H, Chakhmouradian A R |
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Journal of Solid State Chemistry 172 (2003) 95-101 |
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The crystal structure of synthetic simmonsite, Na2LiAlF6 |
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Locality: synthetic |
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_database_code_amcsd 0014032 |
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5.2842 5.3698 7.5063 90 89.98 90 P2_1/n |
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atom x y z Biso |
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Na .5010 .5389 .2506 2.1 |
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Li .5 0 .5 1.0 |
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Al .5 0 0 1.4 |
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F1 .2200 .1930 .9620 1.4 |
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F2 .3072 .7215 .9585 1.5 |
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F3 .4239 .9796 .2310 1.4 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
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Cryolite |
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Ross K C, Mitchell R H, Chakhmouradian A R |
| |
Journal of Solid State Chemistry 172 (2003) 95-101 |
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The crystal structure of synthetic simmonsite, Na2LiAlF6 |
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Locality: natural |
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_database_code_amcsd 0014033 |
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5.4058 5.5926 7.7699 90 90.195 90 P2_1/n |
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atom x y z Biso |
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Na2 .5119 .9489 .2488 2.4 |
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Na1 0 0 .5 1.4 |
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Al 0 0 0 .9 |
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F1 .1036 .0442 .2196 1.3 |
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F2 .7257 .1741 .0425 1.9 |
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F3 .1693 .2683 -.0609 1.8 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Cryolite |
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Ross K C, Mitchell R H, Chakhmouradian A R |
| |
Journal of Solid State Chemistry 172 (2003) 95-101 |
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The crystal structure of synthetic simmonsite, Na2LiAlF6 |
|
Locality: synthetic |
|
_database_code_amcsd 0014034 |
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5.4054 5.5934 7.7672 90 89.81 90 P2_1/n |
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atom x y z Biso |
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Na2 .5138 .5520 .2518 2.3 |
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Na1 .5 0 .5 1.6 |
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Al1 .5 0 0 1.8 |
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F1 .2255 .1765 .9530 1.6 |
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F2 .3353 .7285 .9362 1.4 |
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F3 .3970 .9564 .2182 1.4 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pautovite |
| |
Mitchell R H, Ross K C, Potter E G |
| |
Journal of Solid State Chemistry 177 (2004) 1867-1872 |
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Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 |
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Locality: synthetic |
|
_database_code_amcsd 0014041 |
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9.5193 11.5826 5.4820 90 90 90 Cmcm |
|
atom x y z Biso |
|
Cs .5 .1684 .25 1.44 |
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Fe .3582 .5 0 .51 |
|
S1 .5 .6155 .25 1.50 |
|
S2 .2302 .3932 .25 1.50 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
RbFe2S3 |
| |
Mitchell R H, Ross K C, Potter E G |
| |
Journal of Solid State Chemistry 177 (2004) 1867-1872 |
|
Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 |
|
Locality: synthetic |
|
_database_code_amcsd 0014042 |
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9.2202 11.2429 5.4450 90 90 90 Cmcm |
|
atom x y z Biso |
|
Rb .5 .1687 .25 1.40 |
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Fe .3527 .5 0 .50 |
|
S(1) .5 .6178 .25 1.50 |
|
S(2) .2235 .3874 .25 1.50 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
RbFe2S3 |
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Mitchell R H, Ross K C, Potter E G |
| |
Journal of Solid State Chemistry 177 (2004) 1867-1872 |
|
Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 |
|
Note: Rietveld refinement using FULLPROF |
|
Locality: synthetic |
|
_database_code_amcsd 0014043 |
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9.2202 11.2429 5.4450 90 90 90 Cmcm |
|
atom x y z Biso |
|
Rb .5 .1687 .25 1.78 |
|
Fe .3523 .5 0 .96 |
|
S1 .5 .6151 .25 1.24 |
|
S2 .2256 .3902 .25 1.24 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Rasvumite |
|
Mitchell R H, Ross K C, Potter E G |
| |
Journal of Solid State Chemistry 177 (2004) 1867-1872 |
|
Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 |
|
Locality: synthetic |
|
_database_code_amcsd 0014044 |
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9.0415 11.0298 5.41771 90 90 90 Cmcm |
|
atom x y z Biso |
|
K .5 .1744 .25 1.58 |
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Fe .3488 .5 0 .39 |
|
S1 .5 .6159 .25 .62 |
|
S2 .2155 .3852 .25 .62 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Pautovite |
| |
Mitchell R H, Ross K C, Potter E G |
| |
Journal of Solid State Chemistry 177 (2004) 1867-1872 |
|
Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 |
|
Locality: synthetic |
|
_database_code_amcsd 0014045 |
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9.4144 11.4632 5.4691 90 90 90 Cmcm |
|
atom x y z occ Biso |
|
Cs .5 .1674 .25 .5 1.11 |
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Rb .5 .1674 .25 .5 1.11 |
|
Fe .3563 .5 0 1.63 |
|
S1 .5 .6190 .25 1.40 |
|
S2 .2234 .3892 .25 1.40 |
|
|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Rasvumite |
|
Mitchell R H, Ross K C, Potter E G |
| |
Journal of Solid State Chemistry 177 (2004) 1867-1872 |
|
Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 |
|
Locality: synthetic |
|
_database_code_amcsd 0014046 |
|
9.1554 11.1612 5.4382 90 90 90 Cmcm |
|
atom x y z occ Biso |
|
Rb .5 .1694 .25 .5 1.4 |
|
K .5 .1694 .25 .5 1.4 |
|
Fe .3519 .5 0 .5 |
|
S1 .5 .6148 .25 1.5 |
|
S2 .2210 .3870 .25 1.5 |
|
|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Rasvumite |
|
Mitchell R H, Ross K C, Potter E G |
| |
Journal of Solid State Chemistry 177 (2004) 1867-1872 |
|
Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 |
|
Locality: synthetic |
|
_database_code_amcsd 0014047 |
|
9.3268 11.3693 5.4592 90 90 90 Cmcm |
|
atom x y z occ Biso |
|
Cs .5 .1676 .25 .5 1.4 |
|
K .5 .1676 .25 .5 1.4 |
|
Fe .3513 .5 0 1.0 |
|
S1 .5 .6187 .25 2.5 |
|
S2 .2252 .3863 .25 2.5 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Pautovite |
| |
Mitchell R H, Ross K C, Potter E G |
| |
Journal of Solid State Chemistry 177 (2004) 1867-1872 |
|
Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 |
|
Locality: synthetic |
|
_database_code_amcsd 0014048 |
|
9.3268 11.3693 5.4592 90 90 90 Cmcm |
|
atom x y z occ Biso |
|
Cs .5 .1676 .25 .5 1.4 |
|
K .5 .1676 .25 .5 1.4 |
|
Fe .3513 .5 0 1.0 |
|
S1 .5 .6187 .25 2.5 |
|
S2 .2252 .3863 .25 2.5 |
|
|
| 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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