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Cristobalite |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
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Physics and Chemistry of Minerals 38 (2011) Online-first |
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New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 0.2 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018342 |
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4.9501 4.9501 6.9259 90 90 90 P4_12_12 |
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atom x y z Uiso |
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Si .3027 .3027 0 .0101 |
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O .2388 .1086 .1817 .015 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Cristobalite |
|
Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
| |
Physics and Chemistry of Minerals 38 (2011) Online-first |
|
New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 0.6 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018343 |
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4.908 4.908 6.784 90 90 90 P4_12_12 |
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atom x y z Uiso |
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Si .3083 .3083 0 .018 |
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O .2387 .1161 .1865 .011 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Cristobalite |
|
Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
| |
Physics and Chemistry of Minerals 38 (2011) Online-first |
|
New insights into the high-pressure polymorphism of SiO2 cristobalite |
|
Note: P = 3.6 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018344 |
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4.746 4.746 6.445 90 90 90 P4_12_12 |
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atom x y z Uiso |
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Si .3237 .3237 0 .012 |
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O .2338 .1546 .1992 .010 |
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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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Cristobalite |
|
Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
| |
Physics and Chemistry of Minerals 38 (2011) Online-first |
|
New insights into the high-pressure polymorphism of SiO2 cristobalite |
|
Note: P = 5.4 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018345 |
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4.682 4.682 6.311 90 90 90 P4_12_12 |
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atom x y z Uiso |
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Si .3316 .3316 0 .009 |
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O .2297 .1648 .2119 .005 |
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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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Cristobalite |
|
Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
| |
Physics and Chemistry of Minerals 38 (2011) Online-first |
|
New insights into the high-pressure polymorphism of SiO2 cristobalite |
|
Note: P = 7.3 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018346 |
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4.632 4.632 6.209 90 90 90 P4_12_12 |
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atom x y z Uiso |
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Si .3353 .3353 0 .007 |
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O .2276 .1768 .2228 .008 |
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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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Cristobalite |
|
Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
| |
Physics and Chemistry of Minerals 38 (2011) Online-first |
|
New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 9.1 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018347 |
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4.599 4.599 6.130 90 90 90 P4_12_12 |
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atom x y z Uiso |
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Si .3396 .3396 0 .014 |
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O .2238 .1800 .2164 .011 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Cristobalite II |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
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Physics and Chemistry of Minerals 38 (2011) Online-first |
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New insights into the high-pressure polymorphism of SiO2 cristobalite |
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Note: P = 3.5 GPa, data transformed from Dove et al (2000) |
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_database_code_amcsd 0018348 |
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8.011 4.544 8.890 90 121.0 90 P2_1/c |
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atom x y z Uiso |
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Si1 .6274 .2661 .8461 .018 |
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Si2 .8660 .0221 .7189 .018 |
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O1 .8152 .1255 .8517 .028 |
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O2 .6944 .4046 .0275 .028 |
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O3 .4637 .0262 .7952 .028 |
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O4 .0696 .1948 .7604 .028 |
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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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Cristobalite II |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
| |
Physics and Chemistry of Minerals 38 (2011) Online-first |
|
New insights into the high-pressure polymorphism of SiO2 cristobalite |
|
Note: P = 4.9 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018349 |
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8.011 4.544 8.890 90 121.0 90 P2_1/c |
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atom x y z Uiso |
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Si1 .6265 .2742 .8472 .011 |
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Si2 .8757 .0079 .7218 .014 |
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O1 .8110 .1122 .8606 .015 |
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O2 .6980 .4261 .0033 .019 |
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O3 .4636 .0326 .8042 .011 |
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O4 .0665 .1704 .7533 .016 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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Cristobalite II |
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Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
| |
Physics and Chemistry of Minerals 38 (2011) Online-first |
|
New insights into the high-pressure polymorphism of SiO2 cristobalite |
|
Note: P = 7.4 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018350 |
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7.894 4.456 8.582 90 119.7 90 P2_1/c |
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atom x y z Uiso |
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Si1 .6274 .2767 .8492 .008 |
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Si2 .8757 .9875 .7260 .011 |
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O1 .8107 .1082 .8680 .008 |
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O2 .6889 .4490 .0333 .017 |
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O3 .4534 .0338 .8043 .016 |
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O4 .0689 .1382 .7504 .014 |
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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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| |
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Cristobalite II |
| |
Dera P, Lazarz J D, Prakapenka V B, Barkley M, Downs R T |
| |
Physics and Chemistry of Minerals 38 (2011) Online-first |
|
New insights into the high-pressure polymorphism of SiO2 cristobalite |
|
Note: P = 10.1 GPa |
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Locality: Ellora Caves, India |
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_database_code_amcsd 0018351 |
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7.803 4.382 8.366 90 118.7 90 P2_1/c |
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atom x y z Uiso |
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Si1 .6258 .2822 .8522 .010 |
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Si2 .8769 .9612 .7287 .008 |
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O1 .8230 .1155 .8780 .020 |
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O2 .6839 .4673 .0384 .010 |
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O3 .4551 .0478 .8067 .018 |
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O4 .0670 .1033 .7402 .027 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
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NiP |
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Dera P, Lazarz J D, Lavina B |
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Journal of Solid State Chemistry 184 (2011) 1997-2003 |
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Pressure-induced development of bonding in NiAs type compounds and |
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polymorphism of NiP |
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Locality: Synthetic |
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Note: P = 1.29 GPa |
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_database_code_amcsd 0018497 |
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6.0360 4.8684 6.8788 90 90 90 Pbca |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ni .1945 .0117 .3968 .008 .008 .007 .009 .000 -.001 .001 |
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P .0589 .1744 .1127 .010 .007 .009 .014 .000 .001 .003 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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NiP |
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Dera P, Lazarz J D, Lavina B |
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Journal of Solid State Chemistry 184 (2011) 1997-2003 |
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Pressure-induced development of bonding in NiAs type compounds and |
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polymorphism of NiP |
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Locality: Synthetic |
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Note: P = 5.79 GPa |
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_database_code_amcsd 0018498 |
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23.801 5.9238 4.8479 90 90 90 Cmc2_1 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ni1 .4368 .0496 .4200 .009 .011 .010 .005 .001 .001 .000 |
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Ni2 .1477 .0552 .4066 .007 .006 .007 .008 .000 .002 .002 |
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Ni3 .2071 .4438 .3842 .008 .008 .008 .008 .003 .000 -.001 |
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Ni4 0 .0518 .8991 .008 .010 .008 .006 0 0 .003 |
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P1 .4306 .3187 .0991 .008 .003 .008 .013 -.002 -.005 .001 |
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P2 .1444 .3094 .0706 .008 .009 .005 .009 -.001 -.001 .000 |
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P3 .2894 .3120 .2200 .008 .007 .008 .007 .000 -.003 -.003 |
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P4 0 .3141 .2362 .008 .009 .009 .005 0 0 -.004 |
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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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