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MgGeO3 |
| |
Kubo A, Kiefer B, Shim S H, Shen G, Prakapenka V B, Duffy T S |
| |
American Mineralogist 93 (2008) 965-976 |
|
Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar |
|
Locality: Synthetic |
|
Sample: A036, P = 105.4 GPa, T = 300 K |
|
_database_code_amcsd 0004588 |
|
2.5718 8.3274 6.3536 90 90 90 Cmcm |
|
atom x y z |
|
Mg 0 .2601 .25 |
|
Ge 0 0 0 |
|
O1 0 .9061 .25 |
|
O2 0 .6404 .4365 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgGeO3 |
| |
Kubo A, Kiefer B, Shim S H, Shen G, Prakapenka V B, Duffy T S |
| |
American Mineralogist 93 (2008) 965-976 |
|
Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar |
|
Locality: Synthetic |
|
Sample: A038, P = 109.3 GPa, T = 300 K |
|
_database_code_amcsd 0004589 |
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2.5677 8.3132 6.3453 90 90 90 Cmcm |
|
atom x y z |
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Mg 0 .2573 .25 |
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Ge 0 0 0 |
|
O1 0 .9117 .25 |
|
O2 0 .6410 .4365 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgGeO3 |
| |
Kubo A, Kiefer B, Shim S H, Shen G, Prakapenka V B, Duffy T S |
| |
American Mineralogist 93 (2008) 965-976 |
|
Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar |
|
Locality: Synthetic |
|
Sample: A042, P = 100.2 GPa, T = 300 K |
|
_database_code_amcsd 0004590 |
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2.5811 8.3628 6.3730 90 90 90 Cmcm |
|
atom x y z |
|
Mg 0 .2570 .25 |
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Ge 0 0 0 |
|
O1 0 .9081 .25 |
|
O2 0 .6383 .4319 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgGeO3 |
| |
Kubo A, Kiefer B, Shim S H, Shen G, Prakapenka V B, Duffy T S |
| |
American Mineralogist 93 (2008) 965-976 |
|
Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar |
|
Locality: Synthetic |
|
Sample: B017, P = 92.1 GPa, T = 1740 K |
|
_database_code_amcsd 0004591 |
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2.6001 8.4123 6.4099 90 90 90 Cmcm |
|
atom x y z |
|
Mg 0 .2614 .25 |
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Ge 0 0 0 |
|
O1 0 .9101 .25 |
|
O2 0 .6432 .4417 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgGeO3 |
| |
Kubo A, Kiefer B, Shim S H, Shen G, Prakapenka V B, Duffy T S |
| |
American Mineralogist 93 (2008) 965-976 |
|
Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar |
|
Locality: Synthetic |
|
Sample: B018, P = 93.6 GPa, T = 1420 K |
|
_database_code_amcsd 0004592 |
|
2.5987 8.4107 6.4079 90 90 90 Cmcm |
|
atom x y z |
|
Mg 0 .2590 .25 |
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Ge 0 0 0 |
|
O1 0 .9083 .25 |
|
O2 0 .6412 .4365 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgGeO3 |
| |
Kubo A, Kiefer B, Shim S H, Shen G, Prakapenka V B, Duffy T S |
| |
American Mineralogist 93 (2008) 965-976 |
|
Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar |
|
Locality: Synthetic |
|
Sample: B019, P = 87.8 GPa, T = 300 K |
|
_database_code_amcsd 0004593 |
|
2.5971 8.4089 6.4064 90 90 90 Cmcm |
|
atom x y z |
|
Mg 0 .2533 .25 |
|
Ge 0 0 0 |
|
O1 0 .9176 .25 |
|
O2 0 .6400 .4395 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgGeO3 |
| |
Kubo A, Kiefer B, Shim S H, Shen G, Prakapenka V B, Duffy T S |
| |
American Mineralogist 93 (2008) 965-976 |
|
Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar |
|
Locality: Synthetic |
|
Sample: B020, P = 89.5 GPa, T = 300 K |
|
_database_code_amcsd 0004594 |
|
2.5949 8.4009 6.4013 90 90 90 Cmcm |
|
atom x y z |
|
Mg 0 .2568 .25 |
|
Ge 0 0 0 |
|
O1 0 .9138 .25 |
|
O2 0 .6412 .4375 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgGeO3 |
| |
Kubo A, Kiefer B, Shim S H, Shen G, Prakapenka V B, Duffy T S |
| |
American Mineralogist 93 (2008) 965-976 |
|
Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar |
|
Locality: Synthetic |
|
Sample: B038, P = 85.0 GPa, T = 300 K |
|
_database_code_amcsd 0004595 |
|
2.6018 8.4259 6.4161 90 90 90 Cmcm |
|
atom x y z |
|
Mg 0 .2573 .25 |
|
Ge 0 0 0 |
|
O1 0 .9127 .25 |
|
O2 0 .6398 .4375 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgGeO3 |
| |
Kubo A, Kiefer B, Shim S H, Shen G, Prakapenka V B, Duffy T S |
| |
American Mineralogist 93 (2008) 965-976 |
|
Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar |
|
Locality: Synthetic |
|
Sample: B040, P = 79.2 GPa, T = 300 K |
|
_database_code_amcsd 0004596 |
|
2.6113 8.4602 6.4381 90 90 90 Cmcm |
|
atom x y z |
|
Mg 0 .2555 .25 |
|
Ge 0 0 0 |
|
O1 0 .9121 .25 |
|
O2 0 .6367 .4370 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
MgGeO3 |
| |
Kubo A, Kiefer B, Shim S H, Shen G, Prakapenka V B, Duffy T S |
| |
American Mineralogist 93 (2008) 965-976 |
|
Rietveld structure refinement of MgGeO3 post-perovskite phase to 1 Mbar |
|
Locality: Synthetic |
|
Sample: B041, P = 78.2 GPa, T = 300 K |
|
_database_code_amcsd 0004597 |
|
2.6127 8.4674 6.4413 90 90 90 Cmcm |
|
atom x y z |
|
Mg 0 .2563 .25 |
|
Ge 0 0 0 |
|
O1 0 .9139 .25 |
|
O2 0 .6372 .4377 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorite |
 |
Speziale S, Duffy T S |
| |
Physics and Chemistry of Minerals 29 (2002) 465-472 |
|
Single-crystal elastic constants of fluorite (CaF2) to 9.3 GPa |
|
Sample: P = 0 GPa |
|
_database_code_amcsd 0008645 |
|
5.4631 5.4631 5.4631 90 90 90 Fm3m |
|
atom x y z |
|
Ca 0 0 0 |
|
F .25 .25 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorite |
|
Speziale S, Duffy T S |
| |
Physics and Chemistry of Minerals 29 (2002) 465-472 |
|
Single-crystal elastic constants of fluorite (CaF2) to 9.3 GPa |
|
Sample: P = 0.95 GPa |
|
_database_code_amcsd 0008646 |
|
5.4066 5.4066 5.4066 90 90 90 Fm3m |
|
atom x y z |
|
Ca 0 0 0 |
|
F .25 .25 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorite |
|
Speziale S, Duffy T S |
| |
Physics and Chemistry of Minerals 29 (2002) 465-472 |
|
Single-crystal elastic constants of fluorite (CaF2) to 9.3 GPa |
|
Sample: P = 3.31 GPa |
|
_database_code_amcsd 0008647 |
|
5.3604 5.3604 5.3604 90 90 90 Fm3m |
|
atom x y z |
|
Ca 0 0 0 |
|
F .25 .25 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorite |
|
Speziale S, Duffy T S |
| |
Physics and Chemistry of Minerals 29 (2002) 465-472 |
|
Single-crystal elastic constants of fluorite (CaF2) to 9.3 GPa |
|
Sample: P = 3.96 GPa |
|
_database_code_amcsd 0008648 |
|
5.3485 5.3485 5.3485 90 90 90 Fm3m |
|
atom x y z |
|
Ca 0 0 0 |
|
F .25 .25 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorite |
|
Speziale S, Duffy T S |
| |
Physics and Chemistry of Minerals 29 (2002) 465-472 |
|
Single-crystal elastic constants of fluorite (CaF2) to 9.3 GPa |
|
Sample: P = 5.54 GPa |
|
_database_code_amcsd 0008649 |
|
5.3220 5.3220 5.3220 90 90 90 Fm3m |
|
atom x y z |
|
Ca 0 0 0 |
|
F .25 .25 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorite |
|
Speziale S, Duffy T S |
| |
Physics and Chemistry of Minerals 29 (2002) 465-472 |
|
Single-crystal elastic constants of fluorite (CaF2) to 9.3 GPa |
|
Sample: P = 6.65 GPa |
|
_database_code_amcsd 0008650 |
|
5.3043 5.3043 5.3043 90 90 90 Fm3m |
|
atom x y z |
|
Ca 0 0 0 |
|
F .25 .25 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorite |
|
Speziale S, Duffy T S |
| |
Physics and Chemistry of Minerals 29 (2002) 465-472 |
|
Single-crystal elastic constants of fluorite (CaF2) to 9.3 GPa |
|
Sample: P = 6.95 GPa |
|
_database_code_amcsd 0008651 |
|
5.2991 5.2991 5.2991 90 90 90 Fm3m |
|
atom x y z |
|
Ca 0 0 0 |
|
F .25 .25 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorite |
|
Speziale S, Duffy T S |
| |
Physics and Chemistry of Minerals 29 (2002) 465-472 |
|
Single-crystal elastic constants of fluorite (CaF2) to 9.3 GPa |
|
Sample: P = 7.48 GPa |
|
_database_code_amcsd 0008652 |
|
5.2914 5.2914 5.2914 90 90 90 Fm3m |
|
atom x y z |
|
Ca 0 0 0 |
|
F .25 .25 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorite |
|
Speziale S, Duffy T S |
| |
Physics and Chemistry of Minerals 29 (2002) 465-472 |
|
Single-crystal elastic constants of fluorite (CaF2) to 9.3 GPa |
|
Sample: P = 8.15 GPa |
|
_database_code_amcsd 0008653 |
|
5.2812 5.2812 5.2812 90 90 90 Fm3m |
|
atom x y z |
|
Ca 0 0 0 |
|
F .25 .25 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorite |
|
Speziale S, Duffy T S |
| |
Physics and Chemistry of Minerals 29 (2002) 465-472 |
|
Single-crystal elastic constants of fluorite (CaF2) to 9.3 GPa |
|
Sample: P = 8.35 GPa |
|
Note: density changed to 3.462 Mg/m3, from personal communication by authors November 2003. |
|
_database_code_amcsd 0008654 |
|
5.2786 5.2786 5.2786 90 90 90 Fm3m |
|
atom x y z |
|
Ca 0 0 0 |
|
F .25 .25 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorite |
|
Speziale S, Duffy T S |
| |
Physics and Chemistry of Minerals 29 (2002) 465-472 |
|
Single-crystal elastic constants of fluorite (CaF2) to 9.3 GPa |
|
Sample: P = 8.95 GPa |
|
_database_code_amcsd 0008655 |
|
5.2695 5.2695 5.2695 90 90 90 Fm3m |
|
atom x y z |
|
Ca 0 0 0 |
|
F .25 .25 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Fluorite |
|
Speziale S, Duffy T S |
| |
Physics and Chemistry of Minerals 29 (2002) 465-472 |
|
Single-crystal elastic constants of fluorite (CaF2) to 9.3 GPa |
|
Sample: P = 9.31 GPa |
|
_database_code_amcsd 0008656 |
|
5.2645 5.2645 5.2645 90 90 90 Fm3m |
|
atom x y z |
|
Ca 0 0 0 |
|
F .25 .25 .25 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Alunite |
|
Majzlan J, Speziale S, Duffy T S, Burns P C |
| |
Physics and Chemistry of Minerals 33 (2006) 567-573 |
|
Single-crystal elastic properties of alunite, KAl3(SO4)2(OH)6 |
|
_database_code_amcsd 0009047 |
|
6.9741 6.9741 17.190 90 90 120 R-3m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
S 0 0 .30380 .0066 .0067 .0067 .0065 .0033 0 0 |
|
Al 0 1/2 1/2 .989 .0068 .0047 .0059 .0095 .0023 .0001 .0000 |
|
O1 0 0 .3882 .0110 .0133 .0133 .0062 .0067 0 0 |
|
O2 .2182 -.2182 -.0591 .0099 .0117 .0117 .0099 .0084 -.0004 .0004 |
|
O3 .1258 -.1258 .1400 .0086 .0060 .0060 .0135 .0028 .0010 -.0010 |
|
K 0 0 0 .805 .0140 .0159 .0159 .0104 .0080 0 0 |
|
Na 0 0 0 .132 .0140 .0159 .0159 .0104 .0080 0 0 |
|
O4 0 0 0 .063 .0140 .0159 .0159 .0104 .0080 0 0 |
|
H .178 -.178 .118 .0332 |
|
|
| 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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