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Megawite |
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Zhao J, Ross N L, Angel R J |
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Physics and Chemistry of Minerals 31 (2004) 299-305 |
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Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from |
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single-crystal X-ray diffraction |
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Note: P = 0.0 GPa |
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Locality: synthetic |
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_database_code_amcsd 0018605 |
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5.5142 5.6634 7.88162 90 90 90 Pbnm |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca -.01265 .0505 .25 .564 .0034 .0053 .00237 -.00062 0 0 |
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Sn 0 .5 .5 .305 .0021 .0030 .00108 .00001 .00002 .00008 |
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O1 .0993 .4646 .25 .60 .0058 .0068 .0010 -.0005 0 0 |
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O2 .6987 .2988 .0520 .56 .0034 .0038 .0032 -.0026 .0011 -.0016 |
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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 (permalink) |
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Megawite |
| |
Zhao J, Ross N L, Angel R J |
| |
Physics and Chemistry of Minerals 31 (2004) 299-305 |
|
Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from |
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single-crystal X-ray diffraction |
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Note: P = 0.738 GPa |
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Locality: synthetic |
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_database_code_amcsd 0018606 |
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5.5043 5.6558 7.8687 90 90 90 Pbnm |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca -.01294 .0505 .25 .558 .0045 .0041 .00246 -.00052 0 0 |
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Sn 0 .5 .5 .298 .0020 .0020 .00111 .00005 -.00001 .00002 |
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O1 .1009 .4648 .25 .58 .0096 .0026 .0010 -.0005 0 0 |
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O2 .6981 .2981 .0518 .59 .0008 .0078 .0027 -.0021 .0011 -.0010 |
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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 (permalink) |
| |
|
Megawite |
| |
Zhao J, Ross N L, Angel R J |
| |
Physics and Chemistry of Minerals 31 (2004) 299-305 |
|
Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from |
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single-crystal X-ray diffraction |
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Note: P = 1.50 GPa |
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Locality: synthetic |
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_database_code_amcsd 0018607 |
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5.4952 5.6486 7.8561 90 90 90 Pbnm |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca -.01276 .0509 .25 .556 .0046 .0042 .00235 .00002 0 0 |
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Sn 0 .5 .5 .305 .00242 .00285 .00105 -.00001 -.00002 .00010 |
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O1 .1009 .4637 .25 .63 .0062 .0062 .0014 .0010 0 0 |
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O2 .6970 .2995 .0514 .59 .0010 .0062 .0035 -.0016 .0007 -.0006 |
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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 (permalink) |
| |
|
Megawite |
| |
Zhao J, Ross N L, Angel R J |
| |
Physics and Chemistry of Minerals 31 (2004) 299-305 |
|
Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from |
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single-crystal X-ray diffraction |
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Note: P = 2.61 GPa |
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Locality: synthetic |
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_database_code_amcsd 0018608 |
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5.4824 5.6384 7.8387 90 90 90 Pbnm |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca -.01290 .0515 .25 .525 .0043 .0040 .00227 .00029 0 0 |
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Sn 0 .5 .5 .287 .00238 .00259 .00099 .00003 .00001 .00005 |
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O1 .1004 .4633 .25 .49 .0062 .0044 .0006 .0003 0 0 |
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O2 .6977 .2983 .0526 .57 .0050 .0034 .0026 -.0020 .0001 -.0007 |
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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 (permalink) |
| |
|
Megawite |
| |
Zhao J, Ross N L, Angel R J |
| |
Physics and Chemistry of Minerals 31 (2004) 299-305 |
|
Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from |
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single-crystal X-ray diffraction |
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Note: P = 3.94 GPa |
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Locality: synthetic |
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_database_code_amcsd 0018609 |
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5.4676 5.6267 7.8186 90 90 90 Pbnm |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca -.01313 .0517 .25 .531 .0041 .0044 .00223 -.00036 0 0 |
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Sn 0 .5 .5 .279 .00248 .00236 .00099 .00004 .00001 .00008 |
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O1 .1014 .4651 .25 .39 .0027 .0056 .0006 -.0003 0 0 |
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O2 .6967 .2996 .0520 .51 .0040 .0033 .0026 -.0013 .0005 -.0002 |
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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 (permalink) |
| |
|
Megawite |
| |
Zhao J, Ross N L, Angel R J |
| |
Physics and Chemistry of Minerals 31 (2004) 299-305 |
|
Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from |
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single-crystal X-ray diffraction |
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Note: P = 5.18 GPa |
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Locality: synthetic |
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_database_code_amcsd 0018610 |
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5.4538 5.6162 7.8006 90 90 90 Pbnm |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca -.01276 .0520 .25 .514 .0043 .0041 .00209 -.00102 0 0 |
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Sn 0 .5 .5 .272 .00275 .00189 .00102 .00001 -.00004 .00003 |
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O1 .1006 .4643 .25 .49 .0068 .0025 .0015 -.0010 0 0 |
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O2 .6957 .3007 .0524 .45 .0034 .0015 .0031 -.0011 .0005 -.0003 |
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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 (permalink) |
| |
|
Megawite |
| |
Zhao J, Ross N L, Angel R J |
| |
Physics and Chemistry of Minerals 31 (2004) 299-305 |
|
Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from |
|
single-crystal X-ray diffraction |
|
Note: P = 5.98 GPa |
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Locality: synthetic |
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_database_code_amcsd 0018611 |
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5.44480 5.60887 7.78906 90 90 90 Pbnm |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca -.01314 .0528 .25 .545 .0046 .0039 .00249 -.00090 0 0 |
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Sn 0 .5 .5 .292 .00267 .00223 .00116 .00000 .00005 .00002 |
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O1 .1019 .4634 .25 .53 .0057 .0049 .0013 -.0012 0 0 |
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O2 .6958 .2993 .0533 .54 .0045 .0028 .0030 -.0014 .0003 -.0010 |
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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 (permalink) |
| |
|
Megawite |
| |
Zhao J, Ross N L, Angel R J |
| |
Physics and Chemistry of Minerals 31 (2004) 299-305 |
|
Tilting and distortion of CaSnO3 perovskite to 7 GPa determined from |
|
single-crystal X-ray diffraction |
|
Note: P = 6.73 GPa |
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Locality: synthetic |
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_database_code_amcsd 0018612 |
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5.43626 5.60235 7.77743 90 90 90 Pbnm |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca -.01364 .0528 .25 .489 .0039 .0043 .00194 -.00064 0 0 |
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Sn 0 .5 .5 .290 .00267 .00242 .00104 .00005 .00014 .00001 |
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O1 .1023 .4647 .25 .48 .0073 .0032 .0007 -.0006 0 0 |
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O2 .6961 .2989 .0526 .51 .0034 .0034 .0029 -.0016 .0003 -.0003 |
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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 (permalink) |
| |
|
Megawite |
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Vegas A, Vallet-Regi M, Gonzalez-Calbet J M, Alario-Franco M A |
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Acta Crystallographica B42 (1986) 167-172 |
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The ASnO3 (A = Ca, Sr) perovskites |
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Locality: synthetic |
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_database_code_amcsd 0018625 |
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5.532 5.681 7.906 90 90 90 Pbnm |
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atom x y z Uiso |
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Ca -.0131 .0509 .25 .0075 |
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Sn 0 .5 0 .0035 |
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O1 .0994 .4615 .25 .0070 |
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O2 .6992 .2981 .0514 .0070 |
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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 (permalink) |
| |
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