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Neighborite |
 |
Zhao Y S, Parise J B, Wang Y, Kusaba K, Vaughan M T, Weidner D J, |
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Kikegawa T, Chen J, Shimomura O |
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American Mineralogist 79 (1994) 615-621 |
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High-pressure crystal chemistry of neighborite, NaMgF3: an angle-dispersive |
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diffraction study using monochromatic synchrotron X-radiation |
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P = room pressure |
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_database_code_amcsd 0001664 |
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5.3603 5.4884 7.666 90 90 90 Pbnm |
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atom x y z Uiso |
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Na .9851 .0455 .25 .042 |
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Mg 0 .5 0 .026 |
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F1 .088 .474 .25 .033 |
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F2 .7022 .2946 .0480 .032 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Neighborite |
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Zhao Y S, Parise J B, Wang Y, Kusaba K, Vaughan M T, Weidner D J, |
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Kikegawa T, Chen J, Shimomura O |
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American Mineralogist 79 (1994) 615-621 |
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High-pressure crystal chemistry of neighborite, NaMgF3: an angle-dispersive |
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diffraction study using monochromatic synchrotron X-radiation |
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P = 4.9 GPa |
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_database_code_amcsd 0001665 |
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5.2386 5.3796 7.5052 90 90 90 Pbnm |
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atom x y z Uiso |
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Na .9824 .0473 .25 .046 |
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Mg 0 .5 0 .034 |
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F1 .097 .469 .25 .040 |
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F2 .7006 .2970 .0498 .031 |
|
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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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Neighborite |
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Zhao Y S, Parise J B, Wang Y, Kusaba K, Vaughan M T, Weidner D J, |
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Kikegawa T, Chen J, Shimomura O |
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American Mineralogist 79 (1994) 615-621 |
|
High-pressure crystal chemistry of neighborite, NaMgF3: an angle-dispersive |
|
diffraction study using monochromatic synchrotron X-radiation |
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P = room pressure following decompression |
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_database_code_amcsd 0001666 |
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5.3609 5.4828 7.667 90 90 90 Pbnm |
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atom x y z Uiso |
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Na .9860 .0422 .25 .041 |
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Mg 0 .5 0 .031 |
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F1 .0912 .4711 .25 .035 |
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F2 .7052 .2943 .0455 .027 |
|
|
| 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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Portlandite |
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Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
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Physics and Chemistry of Minerals 34 (2007) 223-232 |
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In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
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pressure and temperature |
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Sample: P = .07 GPa |
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_database_code_amcsd 0009069 |
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3.5717 3.57 4.8743 90 90 120 P-3m1 |
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atom x y z occ Uiso |
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Ca 0 0 0 .006 |
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O 1/3 2/3 .2376 .021 |
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D .369 .738 .4269 1/3 .019 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Portlandite |
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Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
| |
Physics and Chemistry of Minerals 34 (2007) 223-232 |
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In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
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pressure and temperature |
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Sample: P = .15 GPa |
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_database_code_amcsd 0009070 |
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3.5692 3.5692 4.8758 90 90 120 P-3m1 |
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atom x y z occ Uiso |
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Ca 0 0 0 .003 |
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O 1/3 2/3 .2382 .021 |
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D .367 .734 .4268 1/3 .024 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Portlandite |
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Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
| |
Physics and Chemistry of Minerals 34 (2007) 223-232 |
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In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
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pressure and temperature |
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Sample: P = .78 GPa |
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_database_code_amcsd 0009071 |
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3.5592 3.5592 4.8155 90 90 120 P-3m1 |
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atom x y z occ Uiso |
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Ca 0 0 0 .006 |
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O 1/3 2/3 .2394 .020 |
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D .371 .742 .4290 1/3 .023 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Portlandite |
|
Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
| |
Physics and Chemistry of Minerals 34 (2007) 223-232 |
|
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
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pressure and temperature |
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Sample: P = 1.61 GPa |
|
_database_code_amcsd 0009072 |
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3.5462 3.5462 4.7428 90 90 120 P-3m1 |
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atom x y z occ Uiso |
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Ca 0 0 0 .019 |
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O 1/3 2/3 .2421 .015 |
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D .374 .748 .4299 1/3 .031 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Portlandite |
|
Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
| |
Physics and Chemistry of Minerals 34 (2007) 223-232 |
|
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
|
pressure and temperature |
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Sample: P = 2.08 GPa |
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_database_code_amcsd 0009073 |
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3.5384 3.5384 4.7084 90 90 120 P-3m1 |
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atom x y z occ Uiso |
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Ca 0 0 0 .027 |
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O 1/3 2/3 .2439 .013 |
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D .375 .750 .4301 1/3 .042 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Portlandite |
|
Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
| |
Physics and Chemistry of Minerals 34 (2007) 223-232 |
|
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
|
pressure and temperature |
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Sample: P = 2.35 GPa |
|
_database_code_amcsd 0009074 |
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3.5341 3.5341 4.6861 90 90 120 P-3m1 |
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atom x y z occ Uiso |
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Ca 0 0 0 .028 |
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O 1/3 2/3 .2449 .013 |
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D .375 .750 .432 1/3 .049 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Portlandite |
|
Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
| |
Physics and Chemistry of Minerals 34 (2007) 223-232 |
|
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
|
pressure and temperature |
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Sample: P = 2.44 GPa |
|
_database_code_amcsd 0009075 |
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3.5317 3.5317 4.6775 90 90 120 P-3m1 |
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atom x y z occ Uiso |
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Ca 0 0 0 .033 |
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O 1/3 2/3 .2455 .012 |
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D .381 .762 .431 1/3 .055 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Portlandite |
|
Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
| |
Physics and Chemistry of Minerals 34 (2007) 223-232 |
|
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
|
pressure and temperature |
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Sample: P = 3.40 GPa |
|
_database_code_amcsd 0009076 |
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3.5175 3.5175 4.6186 90 90 120 P-3m1 |
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atom x y z occ Uiso |
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Ca 0 0 0 .034 |
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O 1/3 2/3 .243 .013 |
|
D .401 .802 .421 1/3 .067 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Portlandite |
|
Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L |
| |
Physics and Chemistry of Minerals 34 (2007) 223-232 |
|
In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high |
|
pressure and temperature |
|
Sample: P = 4.53 GPa |
|
_database_code_amcsd 0009077 |
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3.5002 3.5002 4.5646 90 90 120 P-3m1 |
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atom x y z occ Uiso |
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Ca 0 0 0 .027 |
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O 1/3 2/3 .238 .013 |
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D .423 .846 .422 1/3 .053 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fe4O5 |
| |
Lavina B, Dera P, Kim E, Meng Y, Downs R T, Weck P F, Sutton S R, Zhao Y |
| |
Proceedings of the National Academy of Sciences 108 (2011) 17281-17284 |
|
Discovery of the recoverable high-pressure iron oxide Fe4O5 |
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Locality: synthetic |
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Note: P = 10 GPa |
|
_database_code_amcsd 0018509 |
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2.8430 9.700 12.29 90 90 90 Cmcm |
|
atom x y z Uiso |
|
Fe1 0 0 0 .02 |
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Fe2 0 .2616 .1131 .02 |
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Fe3 0 .5048 .25 .02 |
|
O1 0 .158 .25 .02 |
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O2 0 .365 .55 .02 |
|
O3 0 .085 .643 .02 |
|
|
| 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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