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Stishovite |
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Spackman M A, Hill R J, Gibbs G V |
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Physics and Chemistry of Minerals 14 (1987) 139-150 |
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Exploration of structure and bonding in stishovite with Fourier and |
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Pseudoaton Refinement methods using single crystal and powder |
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X-ray diffraction data |
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Sample: IAM |
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_database_code_amcsd 0007434 |
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4.1773 4.1773 2.6655 90 90 90 P4_2/mnm |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si 0 0 0 .00241 .00241 .00184 .00018 0 0 |
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O .30615 .30615 0 .00313 .00313 .00234 -.00100 0 0 |
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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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Stishovite |
|
Spackman M A, Hill R J, Gibbs G V |
| |
Physics and Chemistry of Minerals 14 (1987) 139-150 |
|
Exploration of structure and bonding in stishovite with Fourier and |
|
Pseudoaton Refinement methods using single crystal and powder |
|
X-ray diffraction data |
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Sample: ION |
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_database_code_amcsd 0007435 |
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4.1773 4.1773 2.6655 90 90 90 P4_2/mnm |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si 0 0 0 .00242 .00242 .00185 .00018 0 0 |
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O .30615 .30615 0 .00316 .00316 .00237 -.00100 0 0 |
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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
|
| |
|
Stishovite |
|
Spackman M A, Hill R J, Gibbs G V |
| |
Physics and Chemistry of Minerals 14 (1987) 139-150 |
|
Exploration of structure and bonding in stishovite with Fourier and |
|
Pseudoaton Refinement methods using single crystal and powder |
|
X-ray diffraction data |
|
Sample: IAM+ |
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_database_code_amcsd 0007436 |
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4.1773 4.1773 2.6655 90 90 90 P4_2/mnm |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si 0 0 0 .00236 .00236 .00178 .00016 0 0 |
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O .30614 .30614 0 .00308 .00308 .00231 -.00084 0 0 |
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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
|
| |
|
Stishovite |
|
Spackman M A, Hill R J, Gibbs G V |
| |
Physics and Chemistry of Minerals 14 (1987) 139-150 |
|
Exploration of structure and bonding in stishovite with Fourier and |
|
Pseudoaton Refinement methods using single crystal and powder |
|
X-ray diffraction data |
|
Sample: ION+ |
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_database_code_amcsd 0007437 |
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4.1773 4.1773 2.6655 90 90 90 P4_2/mnm |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si 0 0 0 .00236 .00236 .00179 .00016 0 0 |
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O .30614 .30614 0 .00311 .00311 .00233 -.00085 0 0 |
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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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Senarmontite |
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Whitten A E, Dittrich B, Spackman M A, Turner P, Brown T C |
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Dalton Transactions 2004 (2004) 23-29 |
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Charge density analysis of two polymorphs of antimony(III) oxide |
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_database_code_amcsd 0012430 |
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11.1160 11.1160 11.1160 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sb .24017 .74017 .24017 .00557 .00557 .00557 -.00043 -.00043 -.00043 |
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O .31182 .625 .125 .0076 .00719 .00719 0 0 -.00111 |
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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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Valentinite |
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Whitten A E, Dittrich B, Spackman M A, Turner P, Brown T C |
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Dalton Transactions 2004 (2004) 23-29 |
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Charge density analysis of two polymorphs of antimony(III) oxide |
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_database_code_amcsd 0012431 |
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4.8996 12.4490 5.4103 90 90 90 Pccn |
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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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Sb .040642 .127526 .177835 .00479 .00502 .00545 .00390 .00117 .00046 .00064 |
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O1 .2500 .2500 .0209 .00781 .0121 .0066 .0047 -.0026 0 0 |
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O2 .15086 .05868 -.14535 .00629 .0074 .0066 .0049 -.00145 .00144 -.00092 |
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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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